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M SBL 1 1 45
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M SBV 1 45 -5.5858 1.9399
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 4 41 42 43 44
M SBL 2 1 46
M SMT 2 CF3
M SBV 2 46 -5.0310 2.9008
M END
|
CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2CC(O)CN2CCC(N3C(=O)COc4cccnc43)CC2)C1
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][Branch2][Branch1][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][N][Ring1][#C][C][C][Branch1][C][O][C][N][C][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][O][C][C][Ring1][P][C][Ring2][Ring2][Branch2]
|
InChI=1S/C29H33F3N6O5S/c1-44(41,42)36-14-10-24-23(17-36)27(19-4-6-20(7-5-19)29(30,31)32)34-37(24)16-22(39)15-35-12-8-21(9-13-35)38-26(40)18-43-25-3-2-11-33-28(25)38/h2-7,11,21-22,39H,8-10,12-18H2,1H3
|
|
US20050182067A1_p0039_x1442_y2307_c00151
|
0001.cdx
ChemDraw07280514202D
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-1.0717 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.3572 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.7862 0.4125 0.0000 R4 0 0 0 0 0 0 0 0 0 0 0 0
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8 9 1 0
A 7
Q
M END
|
[4*]Nc1cc(C)ncn1
| null | ||
US20070049758A1_p0021_x0521_y1929_c00031
|
0018.cdx
ChemDraw01130703022D
26 27 0 0 0 0 0 0 0 0999 V2000
-2.1434 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.4289 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 2.6812 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 0.2062 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -3.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-2.2539 -2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 1 1 0
2 7 1 0
7 8 1 0
6 9 1 0
9 10 1 0
9 11 1 0
3 12 1 0
12 13 3 0
13 14 1 0
5 15 1 0
15 16 1 0
16 17 2 0
17 18 1 0
18 19 2 0
19 20 1 0
20 21 2 0
21 16 1 0
21 22 1 0
19 23 1 0
14 24 1 0
14 25 1 0
14 26 1 0
M END
|
COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C#C[Si](C)(C)C
|
[C][O][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Branch1][=C][O][C][=C][N][=C][Branch1][C][N][N][=C][Ring1][#Branch1][N][C][=C][Ring2][Ring1][C][C][#C][Si][Branch1][C][C][Branch1][C][C][C]
|
InChI=1S/C19H26N4O2Si/c1-12(2)14-10-15(24-3)13(7-8-26(4,5)6)9-16(14)25-17-11-22-19(21)23-18(17)20/h9-12H,1-6H3,(H4,20,21,22,23)
|
|
US20040229890A1_p0002_x1627_y1019_c00002
|
0032.cdx
ChemDraw10170407472D
8 7 0 0 0 0 0 0 0 0999 V2000
-1.2375 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4125 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4125 0.8250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
-0.4125 -0.8250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
0.4125 0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
0.4125 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4125 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2375 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
2 4 1 0
2 5 1 0
5 6 2 0
5 7 1 0
5 8 1 0
A 8
OH
M END
|
CC(F)(F)P(C)(=O)O
|
[C][C][Branch1][C][F][Branch1][C][F][P][Branch1][C][C][=Branch1][C][=O][O]
|
InChI=1S/C3H7F2O2P/c1-3(4,5)8(2,6)7/h1-2H3,(H,6,7)
|
|
US20050009817A1_p0027_x0528_y1786_c00082
|
0024.cdx
ChemDraw12150416102D
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1.3791 0.8081 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.3791 1.6331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.6486 1.2206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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4.6387 1.8880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0512 2.6025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0512 1.1735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6251 0.2944 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
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0.6646 -2.9044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6646 -2.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-3.6222 0.3956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6222 -0.4294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-5.0512 -0.4294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1 2 2 0
2 3 1 0
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4 5 1 0
1 6 1 0
6 7 2 0
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9 2 1 0
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8 11 1 0
12 11 1 0
11 13 1 0
13 14 2 0
14 15 1 0
15 12 2 0
13 16 1 0
16 17 2 0
17 18 1 0
18 19 2 0
19 14 1 0
15 20 1 0
20 21 2 0
20 22 1 0
22 23 1 0
23 24 1 0
24 25 2 0
24 26 1 0
18 27 1 0
10 28 1 0
28 29 1 0
29 30 1 0
30 31 1 0
31 32 1 0
32 10 1 0
4 33 2 0
33 34 1 0
34 35 2 0
35 36 1 0
36 5 2 0
35 37 1 0
37 38 1 0
37 39 1 0
37 40 1 0
M END
|
CC(C)(C)c1ccc(Nc2nc(N3CCOCC3)nc(-n3cc(C(=O)CCC(=O)O)c4cc(Cl)ccc43)n2)cc1
|
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Branch1][Branch1][N][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][Branch2][Ring1][=C][N][C][=C][Branch1][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring1][P][=N][Ring2][Ring1][=N][C][=C][Ring2][Ring2][Ring2]
|
InChI=1S/C29H31ClN6O4/c1-29(2,3)18-4-7-20(8-5-18)31-26-32-27(35-12-14-40-15-13-35)34-28(33-26)36-17-22(24(37)10-11-25(38)39)21-16-19(30)6-9-23(21)36/h4-9,16-17H,10-15H2,1-3H3,(H,38,39)(H,31,32,33,34)
|
|
US20050054819A1_p0014_x1375_y1229_c00046
|
0370.cdx
ChemDraw02080515272D
24 25 0 0 0 0 0 0 0 0999 V2000
-3.9296 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.3572 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2151 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9296 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9296 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
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6 1 1 0
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8 7 1 0
9 8 1 0
10 9 1 0
11 10 1 0
12 11 1 0
13 12 1 0
14 13 1 0
8 15 1 0
15 16 1 0
16 17 1 0
17 8 1 0
10 18 2 0
12 19 1 6
13 20 2 0
19 21 1 0
21 22 1 0
22 23 1 0
14 24 1 0
M END
|
CCCC[C@H](NC(=O)OC1(Cc2ccccc2)CCC1)C(=O)OC
|
[C][C][C][C][C@H1][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][O][C][=Branch1][C][=O][O][C]
|
InChI=1S/C19H27NO4/c1-3-4-11-16(17(21)23-2)20-18(22)24-19(12-8-13-19)14-15-9-6-5-7-10-15/h5-7,9-10,16H,3-4,8,11-14H2,1-2H3,(H,20,22)/t16-/m0/s1
|
|
US20040229890A1_p0015_x0494_y2613_c00067
|
0342.cdx
ChemDraw10200412552D
23 26 0 0 0 0 0 0 0 0999 V2000
-1.0799 -0.6389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.1434 -1.8361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3984 -1.0514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7309 -0.5665 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
1.0635 -1.0514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2234 -1.0514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 1 1 0
1 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
10 2 1 0
5 11 1 0
3 12 1 0
9 13 1 0
13 14 1 0
14 15 2 0
15 10 1 0
8 22 1 0
12 16 1 0
13 17 1 0
18 19 1 0
19 20 2 0
20 21 1 0
21 22 1 0
22 18 2 0
20 23 1 0
M END
|
CNc1nc(N)nc2cc(-c3ccc(C)s3)c3c(ccn3C)c12
|
[C][N][C][=N][C][Branch1][C][N][=N][C][=C][C][Branch1][O][C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1][=C][C][Branch1][#Branch1][C][=C][N][Ring1][Branch1][C][=C][Ring2][Ring1][Branch1][Ring1][S]
|
InChI=1S/C17H17N5S/c1-9-4-5-13(23-9)11-8-12-14(10-6-7-22(3)15(10)11)16(19-2)21-17(18)20-12/h4-8H,1-3H3,(H3,18,19,20,21)
|
|
US20070179154A1_p0046_x1376_y0890_c00066
|
1970.cdx
ChemDraw06200710582D
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2.8579 0.1275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1 2 1 0
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4 5 2 0
5 6 1 0
6 1 2 0
4 7 1 0
7 8 2 0
8 9 1 0
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10 5 1 0
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14 9 2 0
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15 16 1 0
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18 19 1 0
19 20 2 0
20 21 1 0
21 17 2 0
20 22 1 0
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23 24 2 0
24 25 1 0
25 26 2 0
26 27 1 0
27 28 2 0
28 23 1 0
27 30 1 0
1 29 1 0
30 31 2 0
31 32 1 0
32 33 1 0
33 34 1 0
34 30 1 0
33 35 2 0
18 36 1 0
36 37 1 0
36 38 1 0
36 39 1 0
2 40 1 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 4 36 37 38 39
M SBL 1 1 40
M SMT 1 CF3
M SBV 1 40 -5.6207 3.9657
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 1 40
M SBL 2 1 44
M SMT 2 Me
M SBV 2 44 -6.3352 4.3782
M END
|
Cc1cc2c(-c3cccc(-c4noc(=O)[nH]4)c3)c(CC(=O)Nc3ccc(F)cc3C(F)(F)F)c(=O)oc2cc1Cl
|
[C][C][=C][C][C][Branch2][Ring1][Branch1][C][=C][C][=C][C][Branch1][O][C][=N][O][C][=Branch1][C][=O][NH1][Ring1][=Branch1][=C][Ring1][N][=C][Branch2][Ring1][#Branch2][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][O][C][=Ring2][Ring2][C][C][=C][Ring2][Ring2][=Branch1][Cl]
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O=Cc1ccc(-c2ccc(-c3c(Cc4ccccc4)oc4ccccc34)cc2)cc1
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[O][=C][C][=C][C][=C][Branch2][Ring2][Branch1][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][N]
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US20060122222A1_p0027_x0379_y1064_c00078
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O=c1c([N+](=O)[O-])cc(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)cn1Cc1ccccc1
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[O][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][Branch2][Ring1][S][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1][=C][N][Ring2][Ring1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
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US20060281700A1_p0074_x1497_y0792_c00124
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0029.cdx
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CC(C)c1ccc(NC(=O)NC2CCN(c3ncnc(N)c3/C=N/OCC(=O)N3CCOCC3)C2)cc1
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[C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring2][=N][N][C][=Branch1][C][=O][N][C][C][C][N][Branch2][Ring1][N][C][=N][C][=N][C][Branch1][C][N][=C][Ring1][#Branch1][/C][=N][/O][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][Ring2][Ring1][Branch2][C][=C][Ring2][Ring2][C]
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M END
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[1*]c1c(Oc2cnc(N)nc2N)cc(C#C[4*])c([3*])c1[2*]
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US20070155803A1_p0026_x1440_y2211_c00065
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0550.cdx
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N[C@H]1CCN(NC(=O)NCc2ccccc2Cl)C1=O
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M END
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*c1cc(CN/C(N)=N/C(=O)C2=C(C)CN=C2[5*])cc(Cl)c1N
| null | ||
US20070270434A1_p0017_x1314_y0641_c00036
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00039001.cdx
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O=c1[nH]c(=O)c2cc(-c3ccco3)ccc2[nH]1
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CC(C)C(C)c1ccccc1
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M END
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COc1cc2nncc(N3CCOC(CN4CCCC4)C3)c2cc1OC
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[C][O][C][=C][C][=N][N][=C][C][Branch2][Ring1][Ring1][N][C][C][O][C][Branch1][=Branch2][C][N][C][C][C][C][Ring1][Branch1][C][Ring1][N][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][=Branch1][O][C]
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InChI=1S/C19H26N4O3/c1-24-18-9-15-16(10-19(18)25-2)21-20-11-17(15)23-7-8-26-14(13-23)12-22-5-3-4-6-22/h9-11,14H,3-8,12-13H2,1-2H3
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1330.cdx
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M END
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CCCCc1oc2ccccc2c1Cc1ccc(-c2ccc(OCCCc3ccccc3)c(NC(=O)C(=O)OCC)c2)cc1
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[C][C][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][C][=C][C][=C][Branch2][Ring2][=Branch1][C][=C][C][=C][Branch1][=N][O][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=N][N][C][=Branch1][C][=O][C][=Branch1][C][=O][O][C][C][=C][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][=C]
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InChI=1S/C38H39NO5/c1-3-5-16-35-32(31-15-9-10-17-34(31)44-35)25-28-18-20-29(21-19-28)30-22-23-36(33(26-30)39-37(40)38(41)42-4-2)43-24-11-14-27-12-7-6-8-13-27/h6-10,12-13,15,17-23,26H,3-5,11,14,16,24-25H2,1-2H3,(H,39,40)
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US20050113580A1_p0046_x0369_y1033_c00079
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M END
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CCCS(=O)(=O)Nc1cc(OCCCN(Cc2cccc(C(F)(F)F)c2Cl)CC(c2ccccc2)c2ccccc2)ccc1C
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[C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][Branch2][Ring2][P][O][C][C][C][N][Branch2][Ring1][Branch1][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][Cl][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring2][Branch1][C]
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M END
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c1cnc2cc3[nH]c4ccccc4c3cc2c1
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[C][=C][N][=C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=C][C][Ring1][=N][=C][Ring1][P]
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InChI=1S/C15H10N2/c1-2-6-13-11(5-1)12-8-10-4-3-7-16-14(10)9-15(12)17-13/h1-9,17H
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M END
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Cc1cccc(COC2CCC(OCc3coc(-c4ccc(F)cc4)n3)CC2)c1C(=O)O
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[C][C][=C][C][=C][C][Branch2][Ring2][Branch1][C][O][C][C][C][C][Branch2][Ring1][#Branch1][O][C][C][=C][O][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring1][N][C][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][N][C][=Branch1][C][=O][O]
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InChI=1S/C25H26FNO5/c1-16-3-2-4-18(23(16)25(28)29)13-30-21-9-11-22(12-10-21)31-14-20-15-32-24(27-20)17-5-7-19(26)8-6-17/h2-8,15,21-22H,9-14H2,1H3,(H,28,29)
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M END
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COC(=O)[C@H](CSCc1ccc(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1)NC(=O)c1ccccc1C(=O)O
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[C][O][C][=Branch1][C][=O][C@H1][Branch2][Ring2][#C][C][S][C][C][=C][C][=C][Branch2][Ring1][S][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O]
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InChI=1S/C37H29NO6S/c1-43-37(42)32(38-35(39)30-8-2-3-9-31(30)36(40)41)22-45-21-23-13-15-24(16-14-23)25-17-19-26(20-18-25)27-10-6-11-29-28-7-4-5-12-33(28)44-34(27)29/h2-20,32H,21-22H2,1H3,(H,38,39)(H,40,41)/t32-/m0/s1
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US20060281700A1_p0073_x0495_y1376_c00112
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0017.cdx
ChemDraw11040608272D
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M END
|
CO/N=C/c1c(N)ncnc1N1CCC(NC(=O)Nc2ccc(C3CCCCC3)cc2)C1
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[C][O][/N][=C][/C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][N][C][C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][N][C][Ring2][Ring1][Branch1]
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InChI=1S/C23H31N7O2/c1-32-27-13-20-21(24)25-15-26-22(20)30-12-11-19(14-30)29-23(31)28-18-9-7-17(8-10-18)16-5-3-2-4-6-16/h7-10,13,15-16,19H,2-6,11-12,14H2,1H3,(H2,24,25,26)(H2,28,29,31)/b27-13+
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US20070155803A1_p0021_x1410_y0829_c00040
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0443.cdx
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M END
|
C[C@H](N)C(=O)NNC(=O)NCCc1ccccc1
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[C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
InChI=1S/C12H18N4O2/c1-9(13)11(17)15-16-12(18)14-8-7-10-5-3-2-4-6-10/h2-6,9H,7-8,13H2,1H3,(H,15,17)(H2,14,16,18)/t9-/m0/s1
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US20050182067A1_p0036_x1477_y0699_c00135
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0702.cdx
ChemDraw07100519502D
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M END
|
Clc1cc(Nc2ccc3c(c2)OCCO3)ncn1
|
[Cl][C][=C][C][Branch2][Ring1][C][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][=N][C][=N][Ring1][P]
|
InChI=1S/C12H10ClN3O2/c13-11-6-12(15-7-14-11)16-8-1-2-9-10(5-8)18-4-3-17-9/h1-2,5-7H,3-4H2,(H,14,15,16)
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US20050182067A1_p0037_x1333_y2289_c00142
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0731.cdx
ChemDraw07110517362D
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M END
|
CC(c1ccc(F)cc1)N1CCN(c2cc(Nc3ccc4c(c3)CC(=O)N4)ncn2)CC1
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[C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][N][Branch2][Ring1][#C][C][=C][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Ring1][#Branch1][=N][C][=N][Ring1][P][C][C][Ring2][Ring1][#Branch1]
|
InChI=1S/C24H25FN6O/c1-16(17-2-4-19(25)5-3-17)30-8-10-31(11-9-30)23-14-22(26-15-27-23)28-20-6-7-21-18(12-20)13-24(32)29-21/h2-7,12,14-16H,8-11,13H2,1H3,(H,29,32)(H,26,27,28)
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US20050004369A1_p0029_x0445_y2296_c00055
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0004.cdx
ChemDraw12100415052D
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M END
|
O=C(O)CS(=O)(=O)N(Cc1ccccc1)c1ccc(-c2ccc(-c3c(Cc4ccccc4)oc4ccccc34)cc2)cc1
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[O][=C][Branch1][C][O][C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring2][Branch1][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][S][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][N]
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InChI=1S/C36H29NO5S/c38-35(39)25-43(40,41)37(24-27-11-5-2-6-12-27)31-21-19-29(20-22-31)28-15-17-30(18-16-28)36-32-13-7-8-14-33(32)42-34(36)23-26-9-3-1-4-10-26/h1-22H,23-25H2,(H,38,39)
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US20070270434A1_p0023_x1376_y0575_c00063
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00066001.cdx
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M END
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C[C@@H]1CN(CCc2ccc(Cl)cc2)C[C@H](C)N1S(=O)(=O)c1cccc2c1CC(C(=O)O)C2
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[C][C@@H1][C][N][Branch1][=C][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C@H1][Branch1][C][C][N][Ring1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][Branch2]
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InChI=1S/C24H29ClN2O4S/c1-16-14-26(11-10-18-6-8-21(25)9-7-18)15-17(2)27(16)32(30,31)23-5-3-4-19-12-20(24(28)29)13-22(19)23/h3-9,16-17,20H,10-15H2,1-2H3,(H,28,29)/t16-,17+,20?
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US20050288357A1_p0057_x0482_y1679_c00112
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0006.cdx
ChemDraw11240510432D
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M STY 1 1 SUP
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M SBL 1 1 25
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CCCCCC(O)/C=C/[C@@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1
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[C][C][C][C][C][C][Branch1][C][O][/C][=C][/C@@H1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2]
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InChI=1S/C21H29NO4/c1-2-3-4-5-19(23)12-10-18-11-13-20(24)22(18)15-14-16-6-8-17(9-7-16)21(25)26/h6-10,12,18-19,23H,2-5,11,13-15H2,1H3,(H,25,26)/b12-10+/t18-,19?/m1/s1
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US20050004369A1_p0024_x1328_y1366_c00041
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0740.cdx
ChemDraw12020423062D
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M END
|
CC(C)(CSCc1ccc(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1)C(=O)O
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[C][C][Branch1][C][C][Branch2][Ring2][#C][C][S][C][C][=C][C][=C][Branch2][Ring1][S][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2][C][=Branch1][C][=O][O]
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InChI=1S/C30H26O3S/c1-30(2,29(31)32)19-34-18-20-10-12-21(13-11-20)22-14-16-23(17-15-22)24-7-5-8-26-25-6-3-4-9-27(25)33-28(24)26/h3-17H,18-19H2,1-2H3,(H,31,32)
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US20070265270A1_p0031_x1520_y1679_c00127
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0652.cdx
ChemDraw10010714282D
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M END
|
COc1cc2nncc(-n3ncc4ccccc43)c2cc1OC
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[C][O][C][=C][C][=N][N][=C][C][Branch1][=C][N][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=C][Ring1][#C][C][=C][Ring2][Ring1][Ring1][O][C]
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InChI=1S/C17H14N4O2/c1-22-16-7-12-13(8-17(16)23-2)20-18-10-15(12)21-14-6-4-3-5-11(14)9-19-21/h3-10H,1-2H3
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US20060154945A1_p0020_x1376_y0581_c00078
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0432.cdx
ChemDraw05270608332D
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M END
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Brc1coc(-c2ccccn2)c1
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[Br][C][=C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring1][O]
|
InChI=1S/C9H6BrNO/c10-7-5-9(12-6-7)8-3-1-2-4-11-8/h1-6H
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US20070155803A1_p0029_x0466_y0812_c00069
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0600.cdx
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M END
|
CC[C@H](N)C(=O)NNC(=O)NCc1c(F)cccc1Cl
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[C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl]
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InChI=1S/C12H16ClFN4O2/c1-2-10(15)11(19)17-18-12(20)16-6-7-8(13)4-3-5-9(7)14/h3-5,10H,2,6,15H2,1H3,(H,17,19)(H2,16,18,20)/t10-/m0/s1
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US20070270434A1_p0016_x0404_y2587_c00031
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00034001.cdx
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3.6154 -0.4889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9009 -0.9014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3134 -1.6159 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.1865 -1.3139 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
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10 11 1 0
10 12 2 0
4 13 1 0
13 14 1 0
13 15 2 0
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17 18 1 0
18 19 1 0
19 20 1 0
20 21 1 0
21 14 1 0
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22 23 1 0
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24 25 1 0
25 26 2 0
26 27 1 0
27 28 2 0
28 23 1 0
25 29 1 0
29 30 1 0
30 31 1 0
30 32 1 0
30 33 1 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 5 29 30 31 32 33
M SBL 1 1 32
M SMT 1 OCF3
M SBV 1 32 -5.3929 18.7246
M END
|
O=C(O)C1Cc2cccc(S(=O)(=O)N3CCN(Cc4cccc(OC(F)(F)F)c4)CC3)c2C1
|
[O][=C][Branch1][C][O][C][C][C][=C][C][=C][C][Branch2][Ring2][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Branch1][C][C][=C][C][=C][C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][C][C][Ring2][Ring1][C][=C][Ring2][Ring1][O][C][Ring2][Ring1][=C]
|
InChI=1S/C22H23F3N2O5S/c23-22(24,25)32-18-5-1-3-15(11-18)14-26-7-9-27(10-8-26)33(30,31)20-6-2-4-16-12-17(21(28)29)13-19(16)20/h1-6,11,17H,7-10,12-14H2,(H,28,29)
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US20070117785A1_p0051_x1313_y1778_c00094
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1180.cdx
ChemDraw04030710162D
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2.9963 0.3852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.1012 -1.9349 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.8483 -2.1351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.4479 -0.6409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9010 -1.1878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2477 0.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6912 1.5368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6912 2.3618 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
5.5162 1.5368 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
4.6912 0.7118 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
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38 19 1 0
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12 10 1 0
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14 19 1 0
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22 23 1 0
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17 39 1 0
39 40 1 0
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M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 4 39 40 41 42
M SBL 1 1 44
M SMT 1 CF3
M SBV 1 44 -5.0415 3.0742
M END
|
O=C1COc2ccccc2N1C1CCN(CC(O)Cn2cc(-c3cnccn3)c(-c3ccc(C(F)(F)F)cc3)n2)CC1
|
[O][=C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][#Branch2][C][C][C][N][Branch2][Ring2][=C][C][C][Branch1][C][O][C][N][C][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][Ring2][Ring1][Branch1][C][C][Ring2][Ring1][#C]
|
InChI=1S/C30H29F3N6O3/c31-30(32,33)21-7-5-20(6-8-21)29-24(25-15-34-11-12-35-25)18-38(36-29)17-23(40)16-37-13-9-22(10-14-37)39-26-3-1-2-4-27(26)42-19-28(39)41/h1-8,11-12,15,18,22-23,40H,9-10,13-14,16-17,19H2
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|
US20050267177A1_p0024_x0334_y2500_c00079
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0761.cdx
ChemDraw11010513502D
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-5.4162 -0.2510 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
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0.1888 -0.1677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7696 -0.5030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3504 -0.1677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3504 0.5030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7696 0.8383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1888 0.5030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9313 -0.5030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6737 -0.1677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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4.2545 0.8383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8354 1.1737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4162 0.1677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6737 1.1737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0929 0.1677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5121 -0.1677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1208 -0.9238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
33 1 1 0
1 2 2 0
2 3 1 0
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4 5 2 0
5 1 1 0
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27 28 1 0
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27 30 2 0
21 31 1 0
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13 14 1 6
20 16 1 6
13 33 1 0
M END
|
Cc1cccc(COCC2CCCC(OCc3coc(-c4ccc(F)cc4)n3)C2)c1C(=O)O
|
[C][C][=C][C][=C][C][Branch2][Ring2][=Branch1][C][O][C][C][C][C][C][C][Branch2][Ring1][#Branch1][O][C][C][=C][O][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring1][N][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][=N][C][=Branch1][C][=O][O]
|
InChI=1S/C26H28FNO5/c1-17-4-2-6-20(24(17)26(29)30)14-31-13-18-5-3-7-23(12-18)32-15-22-16-33-25(28-22)19-8-10-21(27)11-9-19/h2,4,6,8-11,16,18,23H,3,5,7,12-15H2,1H3,(H,29,30)
|
|
US20040229890A1_p0010_x1503_y1287_c00045
|
0240.cdx
ChemDraw10170408142D
24 27 0 0 0 0 0 0 0 0999 V2000
-0.6348 -1.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6348 -0.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3492 0.1275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-2.0637 -1.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.0797 -1.5225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7942 -1.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.0797 2.6025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4073 0.2670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 1.0207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2512 0.9344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2042 0.0535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5086 -1.5225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5086 -2.3475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2933 -2.6025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7782 -1.9350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2933 -1.2676 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
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4 5 1 0
5 6 2 0
6 1 1 0
1 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
10 2 1 0
5 11 1 0
3 12 1 0
12 13 1 0
13 14 1 0
14 15 1 0
9 16 1 0
16 17 1 0
17 18 2 0
18 10 1 0
16 19 1 0
8 20 1 0
20 21 2 0
21 22 1 0
22 23 2 0
23 24 1 0
24 20 1 0
M END
|
Cn1ccc2c3c(NCCO)nc(N)nc3cc(-c3cccs3)c21
|
[C][N][C][=C][C][=C][C][Branch1][Branch1][N][C][C][O][=N][C][Branch1][C][N][=N][C][Ring1][O][=C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=C][Ring2][Ring1][Ring2][Ring2][Ring1][#Branch1]
|
InChI=1S/C17H17N5OS/c1-22-6-4-10-14-12(20-17(18)21-16(14)19-5-7-23)9-11(15(10)22)13-3-2-8-24-13/h2-4,6,8-9,23H,5,7H2,1H3,(H3,18,19,20,21)
|
|
US20040266789A1_p0018_x1300_y1912_c00030
|
0490.cdx
ChemDraw11280400182D
40 44 0 0 0 0 0 0 0 0999 V2000
-3.8828 0.1030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.7047 -0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3518 0.1030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3540 0.1030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4105 -0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7633 -1.1194 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.4691 -1.1194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0803 -0.7665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6915 -1.1194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0803 -0.0607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4691 0.2921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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3.6915 -1.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3027 -2.1780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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4.9139 -1.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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4.9139 -1.1194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3027 -1.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
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4 5 1 0
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6 1 1 0
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11 12 1 0
12 13 2 0
13 9 1 0
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14 15 2 0
15 16 1 0
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17 18 1 0
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19 14 1 0
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31 32 2 0
31 33 1 0
30 34 1 0
34 35 1 0
34 36 2 0
35 37 1 0
37 38 1 0
37 39 1 0
37 40 1 0
M END
|
CC(C)(C)OC(=O)NC(CSCc1ccc(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1)C(=O)O
|
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][Branch2][Ring2][#C][C][S][C][C][=C][C][=C][Branch2][Ring1][S][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2][C][=Branch1][C][=O][O]
|
InChI=1S/C33H31NO5S/c1-33(2,3)39-32(37)34-28(31(35)36)20-40-19-21-11-13-22(14-12-21)23-15-17-24(18-16-23)25-8-6-9-27-26-7-4-5-10-29(26)38-30(25)27/h4-18,28H,19-20H2,1-3H3,(H,34,37)(H,35,36)
|
|
US20050004369A1_p0021_x0515_y1075_c00031
|
0630.cdx
ChemDraw12020422542D
21 23 0 0 0 0 0 0 0 0999 V2000
1.8382 2.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.6007 1.4027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0132 0.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.2507 1.4027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-2.5237 -0.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4150 -0.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6286 -1.1068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4255 -1.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6390 -2.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
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4 5 1 0
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6 1 1 0
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3 8 1 0
8 9 1 0
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12 13 1 0
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10 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 11 1 0
13 18 1 0
18 19 1 0
19 20 1 0
20 21 1 0
M END
|
CCCCc1oc2ccccc2c1Cc1ccc(Br)cc1
|
[C][C][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]
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CCOC(=O)C(=O)Nc1cc(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)cn(Cc2ccccc2)c1=O
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[C][C][O][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=C][C][Branch2][Ring1][S][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][S][=O]
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COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
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CCN(CC)c1nc(N)nc2cc(-c3cccs3)c3c(ccn3C)c12
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US20040186132A1_p0026_x0637_y1064_c00178
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CCCCc1ccc(-c2nc(=O)[nH]c3ccc(Br)cc23)cc1
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CC[C@H](NC(=O)NNC(=O)[C@@H](N)Cc1ccncc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
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M SMT 2 OMe
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COc1ccc2[nH]c(=O)n(C3CCN(CC(O)Cn4nc(-c5ccc(Br)cc5)c5c4CCN(S(C)(=O)=O)C5)CC3)c2n1
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[C][O][C][=C][C][=C][NH1][C][=Branch1][C][=O][N][Branch2][Branch1][#Branch1][C][C][C][N][Branch2][Ring2][O][C][C][Branch1][C][O][C][N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][Ring1][N][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][Ring1][#Branch2][C][C][Ring2][Ring1][=C][C][Ring2][Ring2][Ring2][=N][Ring2][Ring2][Branch2]
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US20070049758A1_p0023_x0521_y1268_c00038
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0025.cdx
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C#Cc1cc(Oc2cnc(N)nc2N)c(C#C)cc1OC
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[C][#C][C][=C][C][Branch1][=C][O][C][=C][N][=C][Branch1][C][N][N][=C][Ring1][#Branch1][N][=C][Branch1][Ring1][C][#C][C][=C][Ring1][P][O][C]
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US20050182067A1_p0039_x1359_y0922_c00150
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0760.cdx
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CC(=O)Nc1nc2c(Oc3cc(C4=CCC(C(F)(F)F)CC4)ccn3)cccc2s1
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[C][C][=Branch1][C][=O][N][C][=N][C][=C][Branch2][Ring1][#C][O][C][=C][C][Branch2][Ring1][Ring1][C][=C][C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][#Branch2][=C][C][=N][Ring1][S][C][=C][C][=C][Ring2][Ring1][#Branch1][S][Ring2][Ring1][#Branch2]
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US20050113580A1_p0031_x0417_y0886_c00036
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0561.cdx
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M END
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FC(F)(F)c1cccc(CN(CCCOc2cccc(Br)c2)CC(c2ccccc2)c2ccccc2)c1Cl
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[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][C][Branch2][Ring2][Branch2][C][N][Branch1][S][C][C][C][O][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][P][Cl]
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InChI=1S/C31H28BrClF3NO/c32-26-15-8-16-27(20-26)38-19-9-18-37(21-25-14-7-17-29(30(25)33)31(34,35)36)22-28(23-10-3-1-4-11-23)24-12-5-2-6-13-24/h1-8,10-17,20,28H,9,18-19,21-22H2
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US20060122222A1_p0023_x1423_y2829_c00065
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0661.cdx
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M END
|
COc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1
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[C][O][C][=C][C][=C][Branch2][Ring1][C][/C][=C][/C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][Ring1][P]
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US20080113922A1_p0016_x1376_y1397_c00050
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00056001.cdx
ChemDraw03260809362D
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M END
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COC1O[C@@H](c2ccc(Cl)c(Cc3ccc(O)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O
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[C][O][C][O][C@@H1][Branch2][Ring1][#Branch2][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=C][Ring1][#C][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring2][Ring1][#Branch1][O]
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InChI=1S/C19H21ClO6/c1-25-19-17(24)15(22)16(23)18(26-19)11-4-7-14(20)12(9-11)8-10-2-5-13(21)6-3-10/h2-7,9,15-19,21-24H,8H2,1H3/t15-,16-,17+,18+,19?/m1/s1
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US20050004369A1_p0017_x1375_y2642_c00024
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0530.cdx
ChemDraw12020422422D
28 32 0 0 0 0 0 0 0 0999 V2000
-3.2986 0.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1236 0.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5361 0.0682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1236 -0.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2986 -0.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6086 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6086 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8941 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1796 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1796 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8941 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-2.8861 0.0682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4652 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2493 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9638 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9638 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2493 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4652 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6782 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3927 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1072 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1072 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3927 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6782 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8217 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5361 1.2375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8217 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
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13 1 1 0
6 7 2 0
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5 6 1 0
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14 15 2 0
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20 21 2 0
21 22 1 0
22 23 2 0
23 24 1 0
24 25 2 0
25 20 1 0
26 23 1 0
27 26 1 0
26 28 2 0
M END
|
O=Cc1ccc(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1
|
[O][=C][C][=C][C][=C][Branch2][Ring1][S][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2]
|
InChI=1S/C25H16O2/c26-16-17-8-10-18(11-9-17)19-12-14-20(15-13-19)21-5-3-6-23-22-4-1-2-7-24(22)27-25(21)23/h1-16H
|
|
US20050009817A1_p0020_x0565_y1528_c00067
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0009.cdx
ChemDraw12150415542D
32 36 0 0 0 0 0 0 0 0999 V2000
-1.0004 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.4285 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.4285 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2859 2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.1438 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2859 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1430 2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.8575 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8575 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5719 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2864 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2864 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5719 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0004 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.4285 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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4.0009 0.4125 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
3.5884 -0.3020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2864 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4134 1.1270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
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8 9 1 0
9 10 2 0
10 2 1 0
5 11 1 0
7 12 1 0
9 13 1 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 18 1 0
18 19 2 0
19 14 1 0
12 20 2 0
20 21 1 0
21 22 2 0
22 23 1 0
23 24 2 0
24 12 1 0
11 25 2 0
11 26 1 0
26 27 1 0
27 28 2 0
28 25 1 0
17 29 1 0
29 30 2 0
29 31 2 0
29 32 1 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 4 29 30 31 32
M SBL 1 1 33
M SMT 1 SO2NH2
M SBV 1 33 -3.7200 3.7479
M END
|
NS(=O)(=O)c1ccc(Nc2nc(-c3ccccc3)c3cc(-c4ccco4)ccc3n2)cc1
|
[N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][Ring2][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][Ring1][O][=N][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][N]
|
InChI=1S/C24H18N4O3S/c25-32(29,30)19-11-9-18(10-12-19)26-24-27-21-13-8-17(22-7-4-14-31-22)15-20(21)23(28-24)16-5-2-1-3-6-16/h1-15H,(H2,25,29,30)(H,26,27,28)
|
|
US20040266789A1_p0038_x0542_y1120_c00063
|
1130.cdx
ChemDraw11280401242D
19 21 0 0 0 0 0 0 0 0999 V2000
-1.4289 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.7145 -0.6187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -1.8563 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
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6 1 1 0
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10 11 1 0
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12 7 1 0
11 13 1 0
13 14 2 0
14 15 1 0
15 16 2 0
16 17 1 0
17 18 2 0
18 13 1 0
9 19 1 0
M END
|
Clc1nc(-c2ccccc2)cc(-c2ccccc2)n1
|
[Cl][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][C]
|
InChI=1S/C16H11ClN2/c17-16-18-14(12-7-3-1-4-8-12)11-15(19-16)13-9-5-2-6-10-13/h1-11H
|
|
US20060154945A1_p0011_x1375_y1329_c00030
|
0250.cdx
ChemDraw05240615022D
19 22 0 0 0 0 0 0 0 0999 V2000
-3.0100 -0.6536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7025 1.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.7684 0.7813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0566 0.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0234 -0.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.3115 -0.0033 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.4691 1.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0260 -0.4158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0260 -1.2408 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
1.8106 -1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2955 -0.8283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8106 -0.1609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0100 -1.2408 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
1 5 1 0
1 3 1 0
2 6 1 0
2 4 1 0
3 4 1 0
5 6 1 0
4 10 1 0
5 7 1 0
10 7 1 1
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10 11 1 0
11 12 1 0
12 9 1 0
9 13 2 0
12 14 1 0
14 15 1 0
15 16 1 0
16 17 2 0
17 18 1 0
18 14 2 0
17 19 1 0
M END
|
O=C1O[C@]2(CN3CCC2CC3)CN1c1cc(Br)cs1
|
[O][=C][O][C@][Branch1][N][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1][C][N][Ring1][N][C][=C][C][Branch1][C][Br][=C][S][Ring1][=Branch1]
|
InChI=1S/C13H15BrN2O2S/c14-10-5-11(19-6-10)16-8-13(18-12(16)17)7-15-3-1-9(13)2-4-15/h5-6,9H,1-4,7-8H2/t13-/m1/s1
|
|
US20060154945A1_p0022_x1376_y2839_c00091
|
0490.cdx
ChemDraw05240615162D
12 13 0 0 0 0 0 0 0 0999 V2000
0.6674 0.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6674 -0.0202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3819 -0.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0964 -0.0202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0964 0.8048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3819 1.2173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1270 -1.2173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3020 -1.2173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.0470 -0.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 0.0522 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.3819 -0.4327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0964 -0.0202 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
3 4 1 0
4 5 2 0
5 6 1 0
6 1 2 0
2 9 1 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 1 0
11 7 2 0
11 12 1 0
M END
|
Brc1nnc(-c2ccccc2)s1
|
[Br][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][O]
|
InChI=1S/C8H5BrN2S/c9-8-11-10-7(12-8)6-4-2-1-3-5-6/h1-5H
|
|
US20040229890A1_p0012_x1496_y0669_c00053
|
0281.cdx
ChemDraw10120409452D
31 34 0 0 0 0 0 0 0 0999 V2000
-2.1434 0.1510 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
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0.0000 -1.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.7145 0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.7145 2.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 3.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3276 0.7030 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.9920 1.4567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1715 1.3705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0420 0.2905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -1.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -1.9115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 -2.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 -1.9115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 -1.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 -0.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -2.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -2.7365 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
0.3020 -1.6095 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
1.1270 -3.0385 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 2.6260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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1 2 1 0
2 3 2 0
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4 5 1 0
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6 12 1 0
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13 14 1 0
14 15 1 0
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16 17 1 0
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18 10 1 0
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8 20 1 0
20 21 2 0
21 22 1 0
22 23 2 0
23 24 1 0
24 25 2 0
25 20 1 0
21 26 1 0
26 27 1 0
26 28 1 0
26 29 1 0
15 30 1 0
14 31 1 0
M END
|
Cn1ccc2c3c(NCC(O)CO)nc(N)nc3cc(-c3ccccc3C(F)(F)F)c21
|
[C][N][C][=C][C][=C][C][Branch1][=Branch2][N][C][C][Branch1][C][O][C][O][=N][C][Branch1][C][N][=N][C][Ring1][=N][=C][C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][O][Ring2][Ring1][=C]
|
InChI=1S/C21H20F3N5O2/c1-29-7-6-13-17-16(27-20(25)28-19(17)26-9-11(31)10-30)8-14(18(13)29)12-4-2-3-5-15(12)21(22,23)24/h2-8,11,30-31H,9-10H2,1H3,(H3,25,26,27,28)
|
|
US20050288357A1_p0036_x1478_y0793_c00066
|
0680.cdx
ChemDraw11280509532D
26 27 0 0 0 0 0 0 0 0999 V2000
-3.3256 -0.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.0669 0.6576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8638 0.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4472 1.0275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2336 1.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.6592 -3.2640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4678 -2.1370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1822 -2.5495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8967 -2.1370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6112 -2.5495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3256 -2.1370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7930 2.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7930 3.2640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5075 2.0265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
3 4 1 0
4 5 1 0
5 1 1 0
2 3 1 0
5 6 2 0
4 7 1 0
7 8 1 0
8 9 1 0
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11 12 2 0
12 13 1 0
13 14 2 0
14 9 1 0
3 15 1 1
15 16 2 0
16 17 1 0
17 18 1 6
17 19 1 0
19 20 1 0
20 21 1 0
21 22 1 0
22 23 1 0
12 24 1 0
24 25 2 0
24 26 1 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 24 25 26
M SBL 1 1 25
M SMT 1 CO2H
M SBV 1 25 -4.9842 3.2616
M END
|
COCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1
|
[C][O][C][C][C][C@H1][Branch1][C][O][/C][=C][/C@H1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2]
|
InChI=1S/C20H27NO5/c1-26-14-2-3-18(22)10-8-17-9-11-19(23)21(17)13-12-15-4-6-16(7-5-15)20(24)25/h4-8,10,17-18,22H,2-3,9,11-14H2,1H3,(H,24,25)/b10-8+/t17-,18-/m0/s1
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C#Cc1cc(Oc2cnc(NCCN(C)C)nc2N)c(C(C)C)cc1OC
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[C][#C][C][=C][C][Branch2][Ring1][Branch1][O][C][=C][N][=C][Branch1][=Branch2][N][C][C][N][Branch1][C][C][C][N][=C][Ring1][N][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring2][Ring1][#Branch1][O][C]
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CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2CCCN2CCC(n3nnc4ccccc43)CC2)C1
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[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][Branch2][Branch1][Branch1][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=N][N][Ring1][#C][C][C][C][N][C][C][C][Branch1][=C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][C][Ring1][#C][C][Ring2][Ring2][Branch1]
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InChI=1S/C28H32F3N7O2S/c1-41(39,40)36-18-13-25-23(19-36)27(20-7-9-21(10-8-20)28(29,30)31)33-37(25)15-4-14-35-16-11-22(12-17-35)38-26-6-3-2-5-24(26)32-34-38/h2-3,5-10,22H,4,11-19H2,1H3
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US20050182067A1_p0029_x1539_y1511_c00098
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0571.cdx
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M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 4 15 16 17 18
M SBL 2 1 15
M SMT 2 CF3
M SBV 2 15 -4.9741 8.1197
M END
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O=S(=O)(OC1=CCC(C(F)(F)F)CC1)C(F)(F)F
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[O][=S][=Branch1][C][=O][Branch2][Ring1][Ring2][O][C][=C][C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F]
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InChI=1S/C8H8F6O3S/c9-7(10,11)5-1-3-6(4-2-5)17-18(15,16)8(12,13)14/h3,5H,1-2,4H2
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US20070179154A1_p0058_x0404_y0777_c00124
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2150.cdx
ChemDraw06200711202D
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M SMT 2 Me
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M STY 1 3 SUP
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M SBL 3 1 43
M SMT 3 CF3
M SBV 3 43 -5.6207 4.2861
M END
|
Cc1cc2c(-c3cccc(/C=C/C(=O)NS(C)(=O)=O)c3)c(CC(=O)Nc3ccc(F)cc3C(F)(F)F)c(=O)oc2cc1Cl
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[C][C][=C][C][C][Branch2][Ring1][#Branch2][C][=C][C][=C][C][Branch1][S][/C][=C][/C][=Branch1][C][=O][N][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring1][#C][=C][Branch2][Ring1][#Branch2][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][O][C][=Ring2][Ring2][Branch1][C][=C][Ring2][Ring2][=Branch2][Cl]
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InChI=1S/C29H21ClF4N2O6S/c1-15-10-19-24(14-22(15)30)42-28(39)20(13-26(38)35-23-8-7-18(31)12-21(23)29(32,33)34)27(19)17-5-3-4-16(11-17)6-9-25(37)36-43(2,40)41/h3-12,14H,13H2,1-2H3,(H,35,38)(H,36,37)/b9-6+
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US20050002859A1_p0015_x1571_y2812_c00093
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0122.cdx
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M END
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CC(C)(C)C(C)(C)c1ccc(F)cc1
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[C][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
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InChI=1S/C13H19F/c1-12(2,3)13(4,5)10-6-8-11(14)9-7-10/h6-9H,1-5H3
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US20050288357A1_p0040_x0497_y2383_c00072
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0760.cdx
ChemDraw11280509582D
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M STY 1 1 SUP
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M SBL 1 1 25
M SMT 1 CO2H
M SBV 1 25 -4.8765 3.2742
M END
|
O=C(O)c1ccc(CCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)CCCCCl)cc1
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O=C(O)CCC(=O)c1cn(-c2nc(-c3ccccn3)c3cc(-c4ccco4)ccc3n2)c2ccc(Br)cc12
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CC(C)(C)OC(=O)N[C@@H](C[S+](O)Cc1ccc(-c2ccc(-n3ccc4ccccc43)cc2)cc1)C(=O)O
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US20070049758A1_p0019_x0476_y1293_c00022
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[4*]Oc1cc(C)ncn1
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CCCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1
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CC[C@H](N)C(=O)NNC(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O
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[C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][N][C@@H1][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][S][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][Branch1][C][N][=O]
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US20050075347A1_p0026_x0416_y2454_c00060
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COc1ccc(-c2ccc(C(=O)CNC(=O)CCn3c4c(c(=O)[nH]c3=O)CCCC4)cc2)cc1OC
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O=C(O)CN(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(-c2ccc(-c3c(Cc4ccccc4)oc4ccccc34)cc2)cc1
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[1*]c1cc([3*])c(C#C[5*])cc1Cc1cnc(C)nc1C
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0671.cdx
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-3.2151 -2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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27 28 1 0
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M END
|
C[C@@H](NC(=O)C(O)[C@@H](N)CCCCNC(=O)N1CCOCC1)c1ccccc1
|
[C][C@@H1][Branch2][Ring1][#C][N][C][=Branch1][C][=O][C][Branch1][C][O][C@@H1][Branch1][C][N][C][C][C][C][N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
InChI=1S/C20H32N4O4/c1-15(16-7-3-2-4-8-16)23-19(26)18(25)17(21)9-5-6-10-22-20(27)24-11-13-28-14-12-24/h2-4,7-8,15,17-18,25H,5-6,9-14,21H2,1H3,(H,22,27)(H,23,26)/t15-,17+,18?/m1/s1
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US20040229890A1_p0013_x0390_y0672_c00055
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0291.cdx
ChemDraw10120409522D
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0.4888 2.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.2033 3.2447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4888 3.6572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2256 3.2447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8000 0.3862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6250 0.3862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0375 1.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8625 1.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2750 0.3862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1000 0.3862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5125 1.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1000 1.8152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2750 1.8152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
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12 13 1 0
13 14 1 0
14 15 1 0
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18 10 1 0
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32 33 1 0
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40 41 2 0
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44 45 2 0
45 40 1 0
M END
|
Nc1nc(NCCOCc2ccccc2)c2c(cc(-c3ccccc3C(F)(F)F)c3c2ccn3CCOCc2ccccc2)n1
|
[N][C][=N][C][Branch1][=C][N][C][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Branch2][Ring2][#Branch2][C][=C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][S][C][=C][N][Ring1][Branch1][C][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring2][N]
|
InChI=1S/C35H32F3N5O2/c36-35(37,38)29-14-8-7-13-26(29)28-21-30-31(27-15-17-43(32(27)28)18-20-45-23-25-11-5-2-6-12-25)33(42-34(39)41-30)40-16-19-44-22-24-9-3-1-4-10-24/h1-15,17,21H,16,18-20,22-23H2,(H3,39,40,41,42)
|
|
US20070179177A1_p0021_x1536_y2786_c00135
|
0282.cdx
ChemDraw06210708392D
15 16 0 0 0 0 0 0 0 0999 V2000
-1.3130 -0.2232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.9005 0.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3130 0.7462 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
-2.0275 -1.4607 0.0000 R5 0 0 0 0 0 0 0 0 0 0 0 0
2.0275 0.3337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5986 1.1587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7255 1.4607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0275 0.1893 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
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6 1 1 0
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2 11 1 0
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10 13 2 0
10 14 2 0
1 15 1 0
A 6
X
A 12
NHR1
M END
|
[5*]c1nc2[nH]nc(S(C)(=O)=O)c2cc1Br
| null | ||
US20040229890A1_p0012_x0487_y2174_c00052
|
0280.cdx
ChemDraw10120409412D
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-1.6950 -1.0865 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.9806 -0.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.0615 0.7030 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
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1.8865 0.7030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1 2 1 0
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18 10 1 0
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25 26 1 0
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27 22 1 0
23 28 1 0
28 29 1 0
28 30 1 0
28 31 1 0
M END
|
Nc1nc(NCCO)c2c(cc(-c3ccccc3C(F)(F)F)c3c2ccn3CCO)n1
|
[N][C][=N][C][Branch1][Branch1][N][C][C][O][=C][C][Branch2][Ring1][P][C][=C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][S][C][=C][N][Ring1][Branch1][C][C][O][=N][Ring2][Ring1][=C]
|
InChI=1S/C21H20F3N5O2/c22-21(23,24)15-4-2-1-3-12(15)14-11-16-17(13-5-7-29(8-10-31)18(13)14)19(26-6-9-30)28-20(25)27-16/h1-5,7,11,30-31H,6,8-10H2,(H3,25,26,27,28)
|
|
US20070105909A1_p0021_x0455_y1207_c00038
|
0005.cdx
ChemDraw03290720022D
13 13 0 0 0 0 0 0 0 0999 V2000
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0.0000 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8414 -0.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0164 1.3332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.0000 1.4437 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
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4 5 1 0
5 6 2 0
6 1 1 0
5 7 1 0
7 8 1 0
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7 10 1 0
2 11 1 0
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6 13 1 0
M END
|
CC(C)(C)c1ccc(C#N)cc1Cl
|
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][Cl]
|
InChI=1S/C11H12ClN/c1-11(2,3)9-5-4-8(7-13)6-10(9)12/h4-6H,1-3H3
|
|
US20050009817A1_p0018_x0644_y1493_c00061
|
0003.cdx
ChemDraw12150415492D
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0.1510 2.8875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.8655 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8655 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5799 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2944 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2944 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5799 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.0089 1.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.5964 0.5230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2944 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4214 1.9520 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 1 1 0
1 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
10 2 1 0
7 11 1 0
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12 13 1 0
13 14 2 0
14 15 1 0
15 16 2 0
16 17 1 0
17 18 2 0
18 13 1 0
11 19 2 0
19 20 1 0
20 21 2 0
21 22 1 0
22 23 2 0
23 11 1 0
21 24 1 0
24 25 1 0
24 26 1 0
24 27 1 0
16 28 1 0
28 29 2 0
28 30 2 0
28 31 1 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 4 28 29 30 31
M SBL 1 1 31
M SMT 1 SO2NH2
M SBV 1 31 -2.7249 4.4956
M END
|
CC(C)(C)c1ccc(-c2nc(Nc3ccc(S(N)(=O)=O)cc3)nc3ccccc23)cc1
|
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring2][=Branch1][C][=N][C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][=N][C][=C][C][=C][C][=C][Ring2][Ring1][Branch1][Ring1][=Branch1][C][=C][Ring2][Ring1][O]
|
InChI=1S/C24H24N4O2S/c1-24(2,3)17-10-8-16(9-11-17)22-20-6-4-5-7-21(20)27-23(28-22)26-18-12-14-19(15-13-18)31(25,29)30/h4-15H,1-3H3,(H2,25,29,30)(H,26,27,28)
|
|
US20070105909A1_p0028_x0460_y0980_c00072
|
0440.cdx
ChemDraw03260715372D
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0.9258 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9258 -0.4678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.1953 -0.0553 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.7104 0.6122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2113 0.7697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1229 1.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1229 -1.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9479 -1.4372 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
3.3604 -0.7227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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3.3604 -2.1516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2113 -0.8803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8374 1.7391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1229 2.1516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.0022 -1.6772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 1 1 0
6 7 1 0
7 8 3 0
3 14 1 0
9 10 2 0
10 11 1 0
11 12 1 0
12 13 2 0
13 9 1 0
9 14 1 0
13 15 1 0
11 16 1 0
16 17 1 0
17 18 2 0
17 19 2 0
17 20 1 0
10 21 1 0
15 22 1 0
22 23 1 0
23 15 1 0
21 24 1 0
24 25 1 0
25 21 1 0
M END
|
CS(=O)(=O)Cn1nc(C2CC2)c(Oc2ccc(C#N)cc2)c1C1CC1
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][C][N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Branch1][=C][O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][=C][Ring1][P][C][C][C][Ring1][Ring1]
|
InChI=1S/C18H19N3O3S/c1-25(22,23)11-21-17(14-6-7-14)18(16(20-21)13-4-5-13)24-15-8-2-12(10-19)3-9-15/h2-3,8-9,13-14H,4-7,11H2,1H3
|
|
US20070105909A1_p0022_x0610_y2522_c00049
|
0373.cdx
ChemDraw03260715342D
11 12 0 0 0 0 0 0 0 0999 V2000
-0.8109 -1.2535 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0141 -1.2535 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.2690 -0.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3984 0.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0659 -0.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3984 0.8410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9835 -0.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7804 -0.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7804 -0.2699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5668 0.5270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1129 1.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
3 4 1 0
4 5 2 0
5 1 1 0
4 6 1 0
3 7 1 0
5 8 1 0
7 9 1 0
9 10 1 0
10 7 1 0
6 11 1 0
A 11
Ar1
M END
|
COc1c(C2CC2)n[nH]c1C
|
[C][O][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][NH1][C][=Ring1][Branch2][C]
|
InChI=1S/C8H12N2O/c1-5-8(11-2)7(10-9-5)6-3-4-6/h6H,3-4H2,1-2H3,(H,9,10)
|
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