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COc1cc2nncc(N3CCOC(c4ccccc4Cl)C3)c2cc1OC
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CCCCc1oc2ccccc2c1Cc1ccc(-c2ccc(OCCCc3ccccc3)c(NC(=O)C(=O)O)c2)cc1
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US20040266789A1_p0042_x1302_y2534_c00070
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1280.cdx
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M END
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CC(C)(C)OC(=O)N[C@H](CSCc1ccc(NC(=O)Cn2ccc3cc(F)ccc32)cc1)C(=O)O
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[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C@H1][Branch2][Ring2][=Branch1][C][S][C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][C][=C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2][C][=Branch1][C][=O][O]
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M END
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O=C(O)CCC(=O)c1cn(-c2nc(N3CCCC3)nc(N3CCCc4ccccc43)n2)c2ccc(Br)cc12
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[1*]c1cc([3*])nc(Cl)c1
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M END
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CC[C@H](N)C(=O)NNC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1cccc(F)c1)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][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Branch1][C][N][=O]
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M SMT 2 CO2Me
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*c1ccc(NC(=O)Cc2c(-c3cccc(C(=O)OC)c3)c3cc(CN4CCN(c5ccccc5)CC4)c(Cl)cc3oc2=O)c(C(F)(F)F)c1
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US20060122222A1_p0026_x1536_y1400_c00076
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|
FC(F)(F)Sc1ccc(Nc2nc(-c3ccccc3)c3cc(Br)ccc3n2)cc1
|
[F][C][Branch1][C][F][Branch1][C][F][S][C][=C][C][=C][Branch2][Ring1][=N][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Branch1][C][Br][C][=C][C][Ring1][#Branch1][=N][Ring1][P][C][=C][Ring2][Ring1][Branch2]
|
InChI=1S/C21H13BrF3N3S/c22-14-6-11-18-17(12-14)19(13-4-2-1-3-5-13)28-20(27-18)26-15-7-9-16(10-8-15)29-21(23,24)25/h1-12H,(H,26,27,28)
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US20040266789A1_p0020_x0378_y2058_c00037
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0551.cdx
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M END
|
CS(=O)(=O)OCc1ccc(-c2ccc(-n3ccc4ccccc43)cc2)cc1
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][C][=C][C][=C][Branch2][Ring1][Branch2][C][=C][C][=C][Branch1][=C][N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring1][#C][C][=C][Ring2][Ring1][Branch1]
|
InChI=1S/C22H19NO3S/c1-27(24,25)26-16-17-6-8-18(9-7-17)19-10-12-21(13-11-19)23-15-14-20-4-2-3-5-22(20)23/h2-15H,16H2,1H3
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US20040229890A1_p0003_x0662_y1706_c00007
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0040.cdx
ChemDraw10170407482D
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M STY 1 1 GEN
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M END
|
CC(C)=O
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[C][C][Branch1][C][C][=O]
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InChI=1S/C3H6O/c1-3(2)4/h1-2H3
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|
US20080113922A1_p0021_x1375_y1119_c00062
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00067001.cdx
ChemDraw03250810512D
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M END
|
CCOc1ccc(Cc2cc([C@@H]3S[C@@H](OC)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1
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[C][C][O][C][=C][C][=C][Branch2][Ring1][P][C][C][=C][C][Branch2][Ring1][Ring2][C@@H1][S][C@@H1][Branch1][Ring1][O][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][=C][C][=C][Ring1][P][Cl][C][=C][Ring2][Ring1][=Branch2]
|
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US20070155803A1_p0019_x1360_y0949_c00032
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0420.cdx
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M END
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CC[C@H](N)C(=O)NNC(=O)N[C@@H](Cc1csc2ccccc12)C(=O)N[C@@H](CC(C)C)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][#C][C][C][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][C][Branch1][C][N][=O]
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InChI=1S/C22H32N6O4S/c1-4-15(23)20(30)27-28-22(32)26-17(21(31)25-16(19(24)29)9-12(2)3)10-13-11-33-18-8-6-5-7-14(13)18/h5-8,11-12,15-17H,4,9-10,23H2,1-3H3,(H2,24,29)(H,25,31)(H,27,30)(H2,26,28,32)/t15-,16-,17-/m0/s1
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US20050009817A1_p0022_x0604_y2379_c00075
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0017.cdx
ChemDraw12150416022D
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31 32 2 0
31 33 1 0
M END
|
O=C(O)CCC(=O)c1cn(-c2nc(-c3ccccc3)c3cc(Cl)ccc3n2)c2ccccc12
|
[O][=C][Branch1][C][O][C][C][C][=Branch1][C][=O][C][=C][N][Branch2][Ring1][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Branch1][C][Cl][C][=C][C][Ring1][#Branch1][=N][Ring1][P][C][=C][C][=C][C][=C][Ring2][Ring1][#Branch2][Ring1][=Branch1]
|
InChI=1S/C26H18ClN3O3/c27-17-10-11-21-19(14-17)25(16-6-2-1-3-7-16)29-26(28-21)30-15-20(23(31)12-13-24(32)33)18-8-4-5-9-22(18)30/h1-11,14-15H,12-13H2,(H,32,33)
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US20070105909A1_p0032_x0460_y1166_c00098
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0485.cdx
ChemDraw03260715392D
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M END
|
[3*]c1c(Oc2ccc(C#N)cc2)c([4*])nn1CS(C)(=O)=O
| null | ||
US20050288357A1_p0011_x1488_y1489_c00010
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0162.cdx
ChemDraw11280509232D
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M STY 1 1 SUP
M SLB 1 1 1
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M SBL 1 1 27
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M END
|
CCCCC(C)(C)[C@H](O)/C=C/C1CCC(=O)N1CCc1ccc(C(=O)O)cc1
|
[C][C][C][C][C][Branch1][C][C][Branch1][C][C][C@H1][Branch1][C][O][/C][=C][/C][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/C23H33NO4/c1-4-5-15-23(2,3)20(25)12-10-19-11-13-21(26)24(19)16-14-17-6-8-18(9-7-17)22(27)28/h6-10,12,19-20,25H,4-5,11,13-16H2,1-3H3,(H,27,28)/b12-10+/t19?,20-/m1/s1
|
|
US20050182067A1_p0039_x0488_y1444_c00149
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0752.cdx
ChemDraw07100520032D
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19 20 1 0
19 21 2 0
M END
|
CC(=O)Nc1nc2c(Oc3cc(I)ccn3)cccc2s1
|
[C][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][=N][O][C][=C][C][Branch1][C][I][=C][C][=N][Ring1][#Branch1][C][=C][C][=C][Ring1][=C][S][Ring1][P]
|
InChI=1S/C14H10IN3O2S/c1-8(19)17-14-18-13-10(3-2-4-11(13)21-14)20-12-7-9(15)5-6-16-12/h2-7H,1H3,(H,17,18,19)
|
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US20040229890A1_p0011_x1496_y2544_c00050
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0270.cdx
ChemDraw10170416152D
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24 26 1 0
24 27 1 0
23 28 1 0
28 29 1 0
29 30 1 0
M END
|
Cn1ccc2c3c(NCCCO)nc(N)nc3cc(-c3ccccc3C(F)(F)F)c21
|
[C][N][C][=C][C][=C][C][Branch1][=Branch1][N][C][C][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][#Branch2][Ring2][Ring1][=N]
|
InChI=1S/C21H20F3N5O/c1-29-9-7-13-17-16(27-20(25)28-19(17)26-8-4-10-30)11-14(18(13)29)12-5-2-3-6-15(12)21(22,23)24/h2-3,5-7,9,11,30H,4,8,10H2,1H3,(H3,25,26,27,28)
|
|
US20070265270A1_p0034_x0547_y1864_c00136
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0700.cdx
ChemDraw10010714402D
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27 28 1 0
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M END
|
COc1cc2nncc(-n3ncc4c(N5CCCC5)cccc43)c2cc1OC
|
[C][O][C][=C][C][=N][N][=C][C][Branch2][Ring1][#Branch1][N][N][=C][C][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][Ring1][O][Ring1][=C][=C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][Branch2][O][C]
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InChI=1S/C21H21N5O2/c1-27-20-10-14-16(11-21(20)28-2)24-22-13-19(14)26-18-7-5-6-17(15(18)12-23-26)25-8-3-4-9-25/h5-7,10-13H,3-4,8-9H2,1-2H3
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C[C@H](CCOc1cccc(CCNCC(=O)O)c1)N(Cc1cccc(C(F)(F)F)c1Cl)CC(c1ccccc1)c1ccccc1.Cl
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[C][C@H1][Branch2][Ring1][#Branch1][C][C][O][C][=C][C][=C][C][Branch1][#Branch2][C][C][N][C][C][=Branch1][C][=O][O][=C][Ring1][=N][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].[Cl]
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InChI=1S/C36H38ClF3N2O3.ClH/c1-26(19-21-45-31-16-8-10-27(22-31)18-20-41-23-34(43)44)42(24-30-15-9-17-33(35(30)37)36(38,39)40)25-32(28-11-4-2-5-12-28)29-13-6-3-7-14-29;/h2-17,22,26,32,41H,18-21,23-25H2,1H3,(H,43,44);1H/t26-;/m1./s1
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C[C@H](N)C(=O)NNC(=O)NCc1cccc(F)c1
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InChI=1S/C11H15FN4O2/c1-7(13)10(17)15-16-11(18)14-6-8-3-2-4-9(12)5-8/h2-5,7H,6,13H2,1H3,(H,15,17)(H2,14,16,18)/t7-/m0/s1
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CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2CC(O)CN2CCC(N3C(=O)CCc4cc(Cl)ccc43)CC2)C1
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[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][Branch2][Branch1][P][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][Branch1][N][C][=Branch1][C][=O][C][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring1][N][C][C][Ring2][Ring1][C][C][Ring2][Ring2][=Branch2]
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InChI=1S/C31H35ClF3N5O4S/c1-45(43,44)38-15-12-28-26(19-38)30(20-2-5-22(6-3-20)31(33,34)35)36-39(28)18-25(41)17-37-13-10-24(11-14-37)40-27-8-7-23(32)16-21(27)4-9-29(40)42/h2-3,5-8,16,24-25,41H,4,9-15,17-19H2,1H3
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US20040266789A1_p0042_x0604_y1041_c00069
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1260.cdx
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M END
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O=C(O)Cn1ccc2ccccc21
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[O][=C][Branch1][C][O][C][N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2]
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InChI=1S/C10H9NO2/c12-10(13)7-11-6-5-8-3-1-2-4-9(8)11/h1-6H,7H2,(H,12,13)
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CCOc1ccc(Cc2cc([C@@H]3OC(OC)[C@H](F)[C@H](O)[C@H]3O)ccc2Cl)cc1
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[C][C][O][C][=C][C][=C][Branch2][Ring1][P][C][C][=C][C][Branch2][Ring1][Ring2][C@@H1][O][C][Branch1][Ring1][O][C][C@H1][Branch1][C][F][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][=C][C][=C][Ring1][P][Cl][C][=C][Ring2][Ring1][=Branch2]
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InChI=1S/C21H24ClFO5/c1-3-27-15-7-4-12(5-8-15)10-14-11-13(6-9-16(14)22)20-19(25)18(24)17(23)21(26-2)28-20/h4-9,11,17-21,24-25H,3,10H2,1-2H3/t17-,18+,19-,20+,21?/m1/s1
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M END
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COc1cccc(-c2nc(CO[C@H]3CCC[C@@H](OCc4cccc(C)c4C(=O)O)C3)c(C)o2)c1
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[C][O][C][=C][C][=C][C][Branch2][Ring2][#C][C][=N][C][Branch2][Ring1][P][C][O][C@H1][C][C][C][C@@H1][Branch2][Ring1][Ring1][O][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][C][Ring2][Ring1][C][=C][Branch1][C][C][O][Ring2][Ring1][#Branch2][=C][Ring2][Ring1][S]
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InChI=1S/C27H31NO6/c1-17-7-4-9-20(25(17)27(29)30)15-32-22-11-6-12-23(14-22)33-16-24-18(2)34-26(28-24)19-8-5-10-21(13-19)31-3/h4-5,7-10,13,22-23H,6,11-12,14-16H2,1-3H3,(H,29,30)/t22-,23+/m1/s1
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US20060154945A1_p0016_x0402_y1570_c00053
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0351.cdx
ChemDraw05270608022D
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M END
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Brc1csc(-c2ccncc2)c1
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[Br][C][=C][S][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Ring1][O]
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InChI=1S/C9H6BrNS/c10-8-5-9(12-6-8)7-1-3-11-4-2-7/h1-6H
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US20070105909A1_p0019_x0605_y1321_c00029
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0330.cdx
ChemDraw03260715322D
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M END
|
CC(=O)CC(=O)C1CC1
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[C][C][=Branch1][C][=O][C][C][=Branch1][C][=O][C][C][C][Ring1][Ring1]
|
InChI=1S/C7H10O2/c1-5(8)4-7(9)6-2-3-6/h6H,2-4H2,1H3
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US20040254236A1_p0035_x0447_y0784_c00140
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0770.cdx
ChemDraw11150410252D
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M END
|
Cc1ccc(C(=O)NC2CC2)cc1Nc1ncc(-c2ccccc2)o1
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[C][C][=C][C][=C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=C][Ring1][N][N][C][=N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O]
|
InChI=1S/C20H19N3O2/c1-13-7-8-15(19(24)22-16-9-10-16)11-17(13)23-20-21-12-18(25-20)14-5-3-2-4-6-14/h2-8,11-12,16H,9-10H2,1H3,(H,21,23)(H,22,24)
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US20050009817A1_p0008_x0632_y1980_c00009
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0190.cdx
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(R3)p
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[4*]c1cc(*C)nc([10*])n1
| null | ||
US20070105909A1_p0021_x0455_y0635_c00036
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0003.cdx
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M END
|
CC(C)(C)c1ccc(C#N)c(Cl)c1
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[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch1][C][Cl][=C][Ring1][=Branch2]
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InChI=1S/C11H12ClN/c1-11(2,3)9-5-4-8(7-13)10(12)6-9/h4-6H,1-3H3
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US20040186132A1_p0045_x0711_y1400_c00355
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073002.cdx
ChemDraw08270416002D
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M END
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[1*]c1c2c(cc3c([6*])c([7*])c(=O)[nH]c13)C([5*])C([3*])([4*])C([2*])N2C[8*]
| null | ||
US20070117785A1_p0056_x0330_y2702_c00102
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1292.cdx
ChemDraw03300713432D
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|
[C-]#[N+]Cn1c(=O)n(C2CCN(CC(O)Cn3nc(-c4ccc(C(F)(F)F)cc4)c4c3CCN(S(C)(=O)=O)C4)CC2)c2ccccc21
|
[C-1][#N+1][C][N][C][=Branch1][C][=O][N][Branch2][Branch1][#C][C][C][C][N][Branch2][Branch1][Ring1][C][C][Branch1][C][O][C][N][N][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring1][#C][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][Ring1][#Branch2][C][C][Ring2][Ring1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring2][O]
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InChI=1S/C31H34F3N7O4S/c1-35-20-39-27-5-3-4-6-28(27)41(30(39)43)23-11-14-37(15-12-23)17-24(42)18-40-26-13-16-38(46(2,44)45)19-25(26)29(36-40)21-7-9-22(10-8-21)31(32,33)34/h3-10,23-24,42H,11-20H2,2H3
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CCCCc1ccc(-c2nc(Nc3ccccc3S(N)(=O)=O)nc3ccc(Br)cc23)cc1
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O=C(CCn1c2c(c(=O)[nH]c1=O)CCCC2)NCC(=O)c1cccc2ccccc12
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[3*]c1cc(C(C)C)c(Oc2cnc(C)nc2C)cc1C#C[5*]
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CC[C@H](N)C(=O)NNC(=O)NCc1ccccc1Br
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C[C@H](c1ccc(F)cc1)N1CCNCC1
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M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 21 22 23
M SBL 1 1 22
M SMT 1 CO2H
M SBV 1 22 -4.8020 3.4031
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 4 24 25 26 27
M SBL 2 1 25
M SMT 2 CF3
M SBV 2 25 -4.6915 2.9906
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O=C(O)c1ccc(CCN2C(=O)CC[C@@H]2/C=C/[C@@H](O)CCC(F)(F)F)cc1
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[O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Ring1][=N][C][C][N][C][=Branch1][C][=O][C][C][C@@H1][Ring1][=Branch1][/C][=C][/C@@H1][Branch1][C][O][C][C][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring2][Ring1][Branch2]
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InChI=1S/C19H22F3NO4/c20-19(21,22)11-9-16(24)7-5-15-6-8-17(25)23(15)12-10-13-1-3-14(4-2-13)18(26)27/h1-5,7,15-16,24H,6,8-12H2,(H,26,27)/b7-5+/t15-,16+/m0/s1
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US20040254236A1_p0034_x0442_y0785_c00139
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0750.cdx
ChemDraw11150410242D
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Cc1ccc(C(=O)NC(C)C)cc1Nc1nc(-c2ccccc2)cs1
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[C][C][=C][C][=C][Branch1][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=C][Ring1][N][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring1][O]
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InChI=1S/C20H21N3OS/c1-13(2)21-19(24)16-10-9-14(3)17(11-16)22-20-23-18(12-25-20)15-7-5-4-6-8-15/h4-13H,1-3H3,(H,21,24)(H,22,23)
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US20060154945A1_p0015_x0402_y1753_c00048
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0322.cdx
ChemDraw05290607052D
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O=C1O[C@]2(CN3CCC2CC3)CN1c1ccc(-c2nccs2)s1
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[O][=C][O][C@][Branch1][N][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1][C][N][Ring1][N][C][=C][C][=C][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][S][Ring1][#Branch2]
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US20040229890A1_p0014_x1503_y1641_c00063
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0330.cdx
ChemDraw10200412522D
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M END
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CN(C)c1nc(N)nc2cc(-c3cccn3C(=O)OC(C)(C)C)c3c(ccn3C)c12
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[C][N][Branch1][C][C][C][=N][C][Branch1][C][N][=N][C][=C][C][Branch2][Ring1][Branch1][C][=C][C][=C][N][Ring1][Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][#Branch1][C][=C][N][Ring1][Branch1][C][=C][Ring2][Ring1][O][Ring2][Ring1][=Branch1]
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InChI=1S/C22H26N6O2/c1-22(2,3)30-21(29)28-10-7-8-16(28)14-12-15-17(13-9-11-27(6)18(13)14)19(26(4)5)25-20(23)24-15/h7-12H,1-6H3,(H2,23,24,25)
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US20040229890A1_p0012_x0497_y1048_c00051
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0271.cdx
ChemDraw10170416162D
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M END
|
CN(C)c1nc(N)nc2cc(-c3ccccc3C(F)(F)F)c3c(ccn3CCO)c12
|
[C][N][Branch1][C][C][C][=N][C][Branch1][C][N][=N][C][=C][C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][=C][N][Ring1][Branch1][C][C][O][=C][Ring2][Ring1][O][Ring2][Ring1][=Branch1]
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InChI=1S/C21H20F3N5O/c1-28(2)19-17-13-7-8-29(9-10-30)18(13)14(11-16(17)26-20(25)27-19)12-5-3-4-6-15(12)21(22,23)24/h3-8,11,30H,9-10H2,1-2H3,(H2,25,26,27)
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US20070105909A1_p0021_x0455_y0920_c00037
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0004.cdx
ChemDraw03290720012D
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M END
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CC(C)(C)c1ccc(C#N)c(F)c1
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[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch1][C][F][=C][Ring1][=Branch2]
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US20070049758A1_p0026_x0388_y1326_c00051
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0038.cdx
ChemDraw01140703042D
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M END
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C#Cc1cc(Oc2cnc(NC3CCN(S(C)(=O)=O)CC3)nc2N)c(C(C)C)cc1OC
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[C][#C][C][=C][C][Branch2][Ring1][P][O][C][=C][N][=C][Branch2][Ring1][Ring2][N][C][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch2][N][=C][Ring1][P][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring2][Ring1][N][O][C]
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0291.cdx
ChemDraw05290606572D
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[N][C][=Branch1][C][=O][N][C][C][C][=C][Branch2][Branch1][Ring1][C][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][=N][N][Ring1][=N][C][C][C][N][C][C][C][Branch1][P][N][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][C][Ring1][S][C][Ring2][Ring2][Ring2]
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US20070105909A1_p0029_x0455_y2151_c00081
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0008.cdx
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CC(C)(C)c1ccc(C#N)c2ccccc12
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[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][C][=C][C][=C][Ring1][N][Ring1][=Branch1]
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COC(C)=O
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[C][O][C][Branch1][C][C][=O]
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US20050267177A1_p0023_x1308_y0592_c00074
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0740.cdx
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Cc1cccc(COC2CCCCC(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][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][=Branch1][=C][Ring2][Ring1][=C][C][=Branch1][C][=O][O]
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InChI=1S/C27H30FNO5/c1-18-5-4-6-20(25(18)27(30)31)15-32-23-7-2-3-8-24(14-13-23)33-16-22-17-34-26(29-22)19-9-11-21(28)12-10-19/h4-6,9-12,17,23-24H,2-3,7-8,13-16H2,1H3,(H,30,31)
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US20060122222A1_p0040_x0441_y1985_c00104
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1160.cdx
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M END
|
OCc1ccc(-c2cccc(CN3CCCc4ccc(C(F)(F)F)cc43)c2)cc1
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[O][C][C][=C][C][=C][Branch2][Ring2][=Branch1][C][=C][C][=C][C][Branch2][Ring1][#Branch2][C][N][C][C][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Ring1][=C][=C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][O]
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InChI=1S/C24H22F3NO/c25-24(26,27)22-11-10-20-5-2-12-28(23(20)14-22)15-18-3-1-4-21(13-18)19-8-6-17(16-29)7-9-19/h1,3-4,6-11,13-14,29H,2,5,12,15-16H2
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US20050182067A1_p0033_x0608_y1680_c00117
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0642.cdx
ChemDraw07130516042D
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|
Nc1nc2c(O)cccc2[nH]c1=O
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[N][C][=N][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][NH1][C][Ring1][O][=O]
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0770.cdx
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M END
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CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(N)=O)cc1
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[C][C][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][N][=O][C][=C][Ring1][=Branch2]
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InChI=1S/C21H30N2O3/c1-2-3-4-5-19(24)12-10-18-11-13-20(25)23(18)15-14-16-6-8-17(9-7-16)21(22)26/h6-10,12,18-19,24H,2-5,11,13-15H2,1H3,(H2,22,26)/b12-10+/t18-,19-/m0/s1
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US20070117785A1_p0057_x1308_y2609_c00111
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1322.cdx
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M STY 1 1 SUP
M SLB 1 1 1
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M SBL 1 1 45
M SMT 1 CF3
M SBV 1 45 -5.1696 3.0906
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 1 44
M SBL 2 1 49
M SMT 2 Me
M SBV 2 49 -6.1172 2.1378
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 1 45
M SBL 3 1 50
M SMT 3 Me
M SBV 3 50 -5.1704 3.0845
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 1 46
M SBL 4 1 51
M SMT 4 Me
M SBV 4 51 -5.7170 2.1378
M END
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CN(C)c1ccc2[nH]c(=O)n(C3CCN(CC(O)Cn4nc(-c5ccc(C(F)(F)F)cc5)c5c4CCN(S(C)(=O)=O)C5)CC3)c2n1
|
[C][N][Branch1][C][C][C][=C][C][=C][NH1][C][=Branch1][C][=O][N][Branch2][Branch1][#C][C][C][C][N][Branch2][Branch1][Ring1][C][C][Branch1][C][O][C][N][N][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][Ring1][#C][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][Ring1][#Branch2][C][C][Ring2][Ring1][P][C][Ring2][Ring2][#Branch1][=N][Ring2][Ring2][O]
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InChI=1S/C30H37F3N8O4S/c1-37(2)26-9-8-24-28(35-26)41(29(43)34-24)21-10-13-38(14-11-21)16-22(42)17-40-25-12-15-39(46(3,44)45)18-23(25)27(36-40)19-4-6-20(7-5-19)30(31,32)33/h4-9,21-22,42H,10-18H2,1-3H3,(H,34,43)
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US20070105909A1_p0022_x0484_y1616_c00047
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0014.cdx
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CC(C)(C)c1cc(F)cc(F)c1
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[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2]
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InChI=1S/C10H12F2/c1-10(2,3)7-4-8(11)6-9(12)5-7/h4-6H,1-3H3
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US20070105909A1_p0027_x0588_y0720_c00068
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Cc1cc(O)ccc1C#N
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[C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C][#N]
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InChI=1S/C8H7NO/c1-6-4-8(10)3-2-7(6)5-9/h2-4,10H,1H3
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US20070117785A1_p0059_x0340_y0847_c00118
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M STY 1 1 SUP
M SLB 1 1 1
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M SBL 1 1 46
M SMT 1 Me
M SBV 1 46 -5.4204 2.3772
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 1 42
M SBL 2 1 47
M SMT 2 Me
M SBV 2 47 -5.4077 3.9306
M END
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Cc1cc(-c2nn(CC(O)CN3CCC(n4c(=O)[nH]c5ccc(Cl)cc54)CC3)c3c2CN(S(C)(=O)=O)CC3)ccc1Cl
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[C][C][=C][C][Branch2][Branch1][S][C][=N][N][Branch2][Ring2][Branch1][C][C][Branch1][C][O][C][N][C][C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][NH1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][O][C][C][Ring1][P][C][=C][Ring2][Ring1][#Branch2][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch2][=C][C][=C][Ring2][Ring2][Branch2][Cl]
|
InChI=1S/C29H34Cl2N6O4S/c1-18-13-19(3-5-24(18)31)28-23-17-35(42(2,40)41)12-9-26(23)36(33-28)16-22(38)15-34-10-7-21(8-11-34)37-27-14-20(30)4-6-25(27)32-29(37)39/h3-6,13-14,21-22,38H,7-12,15-17H2,1-2H3,(H,32,39)
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US20040266789A1_p0027_x1301_y1018_c00047
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M CHG 2 42 1 44 -1
M STY 1 1 SUP
M SLB 1 1 1
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M SMT 1 NO2
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M END
|
O=C(N[C@@H](CSCc1ccc(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1)C(=O)O)c1ccc([N+](=O)[O-])cc1
|
[O][=C][Branch2][Branch1][=Branch2][N][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][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2]
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InChI=1S/C35H26N2O6S/c38-34(26-16-18-27(19-17-26)37(41)42)36-31(35(39)40)21-44-20-22-8-10-23(11-9-22)24-12-14-25(15-13-24)28-5-3-6-30-29-4-1-2-7-32(29)43-33(28)30/h1-19,31H,20-21H2,(H,36,38)(H,39,40)/t31-/m0/s1
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M SMT 1 Me
M SBV 1 42 -5.0326 1.9770
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M SLB 1 2 2
M SAL 2 4 38 39 40 41
M SBL 2 1 43
M SMT 2 CF3
M SBV 2 43 -5.0326 2.3516
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CC(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2CC(O)CN2CCC(c3nc4ccccc4[nH]3)CC2)C1
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[C][C][=Branch1][C][=O][N][C][C][C][=C][Branch2][Branch1][Branch2][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][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][C][Ring1][#C][C][Ring2][Ring2][=Branch1]
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InChI=1S/C30H33F3N6O2/c1-19(40)38-15-12-27-24(18-38)28(20-6-8-22(9-7-20)30(31,32)33)36-39(27)17-23(41)16-37-13-10-21(11-14-37)29-34-25-4-2-3-5-26(25)35-29/h2-9,21,23,41H,10-18H2,1H3,(H,34,35)
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US20050004369A1_p0025_x0355_y2278_c00044
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0740.cdx
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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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US20060154945A1_p0022_x0402_y2785_c00088
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M END
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O=C1O[C@]2(CN3CCC2CC3)CN1c1nnc(-c2ccncc2)s1
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[O][=C][O][C@][Branch1][N][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1][C][N][Ring1][N][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][S][Ring1][O]
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InChI=1S/C16H17N5O2S/c22-15-21(10-16(23-15)9-20-7-3-12(16)4-8-20)14-19-18-13(24-14)11-1-5-17-6-2-11/h1-2,5-6,12H,3-4,7-10H2/t16-/m1/s1
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US20070117785A1_p0033_x0337_y1773_c00071
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0690.cdx
ChemDraw04030710532D
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M SLB 1 1 1
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M SBL 1 1 45
M SMT 1 Me
M SBV 1 45 -4.8603 3.6228
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 1 41
M SBL 2 1 46
M SMT 2 Me
M SBV 2 46 -5.4180 4.5888
M END
|
CC(=O)N1CCc2c(c(-c3ccc(Cl)c(C)c3)nn2C[C@@H](O)CN2CCC(n3c(=O)[nH]c4ccc(Cl)cc43)CC2)C1
|
[C][C][=Branch1][C][=O][N][C][C][C][=C][Branch2][Branch1][#Branch2][C][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][C][=C][Ring1][Branch2][=N][N][Ring1][=N][C][C@@H1][Branch1][C][O][C][N][C][C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][NH1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][O][C][C][Ring1][P][C][Ring2][Ring2][=Branch1]
|
InChI=1S/C30H34Cl2N6O3/c1-18-13-20(3-5-25(18)32)29-24-17-36(19(2)39)12-9-27(24)37(34-29)16-23(40)15-35-10-7-22(8-11-35)38-28-14-21(31)4-6-26(28)33-30(38)41/h3-6,13-14,22-23,40H,7-12,15-17H2,1-2H3,(H,33,41)/t23-/m0/s1
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US20070155803A1_p0022_x1400_y2742_c00046
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0471.cdx
ChemDraw05240721522D
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M END
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C[C@H](N)C(=O)NNC(=O)NCCc1c[nH]c2ccccc12
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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][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1]
|
InChI=1S/C14H19N5O2/c1-9(15)13(20)18-19-14(21)16-7-6-10-8-17-12-5-3-2-4-11(10)12/h2-5,8-9,17H,6-7,15H2,1H3,(H,18,20)(H2,16,19,21)/t9-/m0/s1
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US20040266789A1_p0050_x1437_y0621_c00083
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1520.cdx
ChemDraw11280401582D
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M STY 1 1 SUP
M SLB 1 1 1
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M SBL 1 1 16
M SMT 1 NHBoc
M SBV 1 16 -6.0467 1.2664
M END
|
COC(=O)C(COCc1ccc(Br)cc1)NC(=O)OC(C)(C)C
|
[C][O][C][=Branch1][C][=O][C][Branch1][#C][C][O][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]
|
InChI=1S/C16H22BrNO5/c1-16(2,3)23-15(20)18-13(14(19)21-4)10-22-9-11-5-7-12(17)8-6-11/h5-8,13H,9-10H2,1-4H3,(H,18,20)
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US20060122222A1_p0007_x0571_y1069_c00005
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0201.cdx
ChemDraw04250615112D
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1.9924 0.2467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1674 -1.1822 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
3 4 2 0
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L3
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M END
|
CCc1cccc(C(C)C)c1
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[C][C][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][=Branch2]
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InChI=1S/C11H16/c1-4-10-6-5-7-11(8-10)9(2)3/h5-9H,4H2,1-3H3
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US20070270434A1_p0020_x1314_y1342_c00051
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00052001.cdx
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M STY 1 1 SUP
M SLB 1 1 1
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M SBL 1 1 35
M SMT 1 OCF3
M SBV 1 35 -5.0805 16.0166
M END
|
C[C@@H]1CN(CCc2ccc(OC(F)(F)F)cc2)C[C@H](C)N1S(=O)(=O)c1cccc2c1CC(C(=O)O)C2
|
[C][C@@H1][C][N][Branch2][Ring1][=Branch1][C][C][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][C@H1][Branch1][C][C][N][Ring2][Ring1][Ring2][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]
|
InChI=1S/C25H29F3N2O5S/c1-16-14-29(11-10-18-6-8-21(9-7-18)35-25(26,27)28)15-17(2)30(16)36(33,34)23-5-3-4-19-12-20(24(31)32)13-22(19)23/h3-9,16-17,20H,10-15H2,1-2H3,(H,31,32)/t16-,17+,20?
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US20070015754A1_p0040_x0432_y2307_c00250
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0791.cdx
ChemDraw11030608012D
29 32 0 0 0 0 0 0 0 0999 V2000
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M END
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Cc1noc(-c2ccccc2)c1C(=O)/N=C(\N)NCc1cccc2ccccc12
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[C][C][=N][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][O][C][=Branch1][C][=O][/N][=C][Branch1][C][\N][N][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1]
|
InChI=1S/C23H20N4O2/c1-15-20(21(29-27-15)17-9-3-2-4-10-17)22(28)26-23(24)25-14-18-12-7-11-16-8-5-6-13-19(16)18/h2-13H,14H2,1H3,(H3,24,25,26,28)
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US20070155803A1_p0023_x1416_y1744_c00050
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0490.cdx
ChemDraw05240721542D
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3.3650 1.1587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
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M END
|
C[C@H](N)C(=O)NNC(=O)NCCc1cccs1
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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][S][Ring1][Branch1]
|
InChI=1S/C10H16N4O2S/c1-7(11)9(15)13-14-10(16)12-5-4-8-3-2-6-17-8/h2-3,6-7H,4-5,11H2,1H3,(H,13,15)(H2,12,14,16)/t7-/m0/s1
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US20070179177A1_p0031_x1324_y2702_c00165
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0004.cdx
ChemDraw06230712042D
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2.3847 -0.1902 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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M END
|
O=S(=O)(Nc1cc(N2CCCC2)ccc1F)c1n[nH]c2ncc(Br)cc12
|
[O][=S][=Branch1][C][=O][Branch2][Ring1][Ring2][N][C][=C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=C][C][=C][Ring1][O][F][C][=N][NH1][C][=N][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch2][Ring1][#Branch1]
|
InChI=1S/C16H15BrFN5O2S/c17-10-7-12-15(19-9-10)20-21-16(12)26(24,25)22-14-8-11(3-4-13(14)18)23-5-1-2-6-23/h3-4,7-9,22H,1-2,5-6H2,(H,19,20,21)
|
|
US20070179177A1_p0031_x1290_y2275_c00164
|
0003.cdx
ChemDraw06230712022D
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2.5769 0.5613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3738 0.7748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5873 1.5717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0040 2.1551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2071 1.9416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
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22 23 1 0
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24 25 1 0
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M END
|
O=S(=O)(Nc1ccccc1)c1n[nH]c2ncc(-c3cccnc3)cc12
|
[O][=S][=Branch1][C][=O][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][NH1][C][=N][C][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][#C][Ring1][N]
|
InChI=1S/C17H13N5O2S/c23-25(24,22-14-6-2-1-3-7-14)17-15-9-13(11-19-16(15)20-21-17)12-5-4-8-18-10-12/h1-11,22H,(H,19,20,21)
|
|
US20050004369A1_p0035_x0443_y1975_c00073
|
0022.cdx
ChemDraw12060402312D
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41 42 1 0
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M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 4 41 42 43 44
M SBL 1 1 45
M SMT 1 CF3
M SBV 1 45 -5.5461 4.1073
M END
|
O=C(O)CN(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(-c2ccc(-c3ccccc3Oc3ccccc3)cc2)cc1
|
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42 44 2 0
M STY 1 1 SUP
M SLB 1 1 1
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M SBL 1 1 39
M SMT 1 CO2H
M SBV 1 39 -4.9538 3.4643
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 3 39 40 41
M SBL 2 1 42
M SMT 2 CO2H
M SBV 2 42 -4.9538 3.4643
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 3 42 43 44
M SBL 3 2 45 46
M SMT 3 S
O2
M SBV 3 45 -4.9538 2.4198
M SBV 3 46 -6.3827 2.4198
M END
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CN(C(Cc1ccccc1)C(=O)O)S(=O)(=O)c1ccc(N(CC(=O)O)c2nc(-c3ccccc3)c3cc(Br)ccc3n2)cc1
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[C][N][Branch2][Ring1][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][Branch1][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Branch1][C][Br][C][=C][C][Ring1][#Branch1][=N][Ring1][P][C][=C][Ring2][Ring1][N]
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InChI=1S/C32H27BrN4O6S/c1-36(28(31(40)41)18-21-8-4-2-5-9-21)44(42,43)25-15-13-24(14-16-25)37(20-29(38)39)32-34-27-17-12-23(33)19-26(27)30(35-32)22-10-6-3-7-11-22/h2-17,19,28H,18,20H2,1H3,(H,38,39)(H,40,41)
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US20070117785A1_p0028_x1311_y0717_c00066
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0570.cdx
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M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 36 37
M SBL 1 1 40
M SMT 1 CN
M SBV 1 40 -5.3296 2.0877
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 1 38
M SBL 2 1 42
M SMT 2 Me
M SBV 2 42 -4.6423 2.6812
M END
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CC(=O)N1CCc2c(c(-c3ccc(Cl)cc3)nn2CC(O)CN2CCC(Nc3ccccc3C#N)CC2)C1
|
[C][C][=Branch1][C][=O][N][C][C][C][=C][Branch2][Ring2][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][N][Ring1][N][C][C][Branch1][C][O][C][N][C][C][C][Branch1][N][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N][C][C][Ring1][#C][C][Ring2][Ring2][Ring1]
|
InChI=1S/C29H33ClN6O2/c1-20(37)35-15-12-28-26(19-35)29(21-6-8-23(30)9-7-21)33-36(28)18-25(38)17-34-13-10-24(11-14-34)32-27-5-3-2-4-22(27)16-31/h2-9,24-25,32,38H,10-15,17-19H2,1H3
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US20060281700A1_p0083_x0404_y0649_c00163
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1031.cdx
ChemDraw10270610332D
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M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 12 13 14
M SBL 1 1 13
M SMT 1 O2N
M SBV 1 13 -4.3247 3.7051
M END
|
O=[N+]([O-])c1ccc(OC2CCC2)nc1
|
[O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch1][Branch2][O][C][C][C][C][Ring1][Ring2][N][=C][Ring1][O]
|
InChI=1S/C9H10N2O3/c12-11(13)7-4-5-9(10-6-7)14-8-2-1-3-8/h4-6,8H,1-3H2
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US20060154945A1_p0020_x1375_y2784_c00080
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0441.cdx
ChemDraw06010611232D
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M END
|
O=C1OC2(CN3CCC2CC3)CN1c1ncc(-c2cccnc2)s1
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[O][=C][O][C][Branch1][N][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1][C][N][Ring1][N][C][=N][C][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][S][Ring1][O]
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InChI=1S/C17H18N4O2S/c22-16-21(11-17(23-16)10-20-6-3-13(17)4-7-20)15-19-9-14(24-15)12-2-1-5-18-8-12/h1-2,5,8-9,13H,3-4,6-7,10-11H2
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US20060122222A1_p0016_x0482_y1084_c00046
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0004.cdx
ChemDraw04230617322D
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M END
|
O=C(O)CCC(=O)c1cn(Cc2ccc(-c3cccc(N4CCCC4)c3)cc2)c2ccc(Cl)cc12
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[O][=C][Branch1][C][O][C][C][C][=Branch1][C][=O][C][=C][N][Branch2][Ring1][=C][C][C][=C][C][=C][Branch2][Ring1][C][C][=C][C][=C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=C][Ring1][O][C][=C][Ring1][P][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring2][Ring1][N][Ring1][#Branch1]
|
InChI=1S/C29H27ClN2O3/c30-23-10-11-27-25(17-23)26(28(33)12-13-29(34)35)19-32(27)18-20-6-8-21(9-7-20)22-4-3-5-24(16-22)31-14-1-2-15-31/h3-11,16-17,19H,1-2,12-15,18H2,(H,34,35)
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US20060154945A1_p0011_x0402_y2785_c00029
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0241.cdx
ChemDraw05240614582D
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-3.1222 -1.3249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1222 -2.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4077 -2.5624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6933 -2.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 1 2 0
2 6 2 0
6 7 1 0
7 8 2 0
8 9 1 0
9 3 2 0
7 10 1 0
1 11 1 0
11 12 1 0
11 13 2 0
4 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
16 26 1 0
18 20 1 0
20 21 1 0
21 22 2 0
22 23 1 0
23 24 1 0
24 25 1 0
25 20 1 0
12 27 1 0
27 28 1 0
28 29 1 0
28 30 2 0
21 31 1 0
31 32 2 0
32 33 1 0
33 34 2 0
34 22 1 0
26 35 2 0
35 36 1 0
36 37 2 0
37 38 1 0
38 39 2 0
39 26 1 0
M END
|
O=C(O)CCC(=O)c1cn(-c2nc(-c3ccccc3)nc(N3CCCc4ccccc43)n2)c2ccc(Cl)cc12
|
[O][=C][Branch1][C][O][C][C][C][=Branch1][C][=O][C][=C][N][Branch2][Ring2][Ring2][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch1][#C][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=N][Ring2][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring2][Ring1][S][Ring1][#Branch1]
|
InChI=1S/C30H24ClN5O3/c31-21-12-13-25-22(17-21)23(26(37)14-15-27(38)39)18-36(25)30-33-28(20-8-2-1-3-9-20)32-29(34-30)35-16-6-10-19-7-4-5-11-24(19)35/h1-5,7-9,11-13,17-18H,6,10,14-16H2,(H,38,39)
|
|
US20050182067A1_p0035_x0470_y2663_c00129
|
0682.cdx
ChemDraw07100519492D
19 21 0 0 0 0 0 0 0 0999 V2000
-2.8579 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5724 0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 0.8250 0.0000 O 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
8 4 1 0
9 8 1 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
13 14 1 0
14 9 2 0
12 15 1 0
15 16 1 0
16 17 1 0
17 18 1 0
18 13 1 0
17 19 2 0
M END
|
O=C1CCc2ccc(Nc3cc(Cl)ncn3)cc2N1
|
[O][=C][C][C][C][=C][C][=C][Branch1][=N][N][C][=C][C][Branch1][C][Cl][=N][C][=N][Ring1][#Branch1][C][=C][Ring1][=C][N][Ring2][Ring1][C]
|
InChI=1S/C13H11ClN4O/c14-11-6-12(16-7-15-11)17-9-3-1-8-2-4-13(19)18-10(8)5-9/h1,3,5-7H,2,4H2,(H,18,19)(H,15,16,17)
|
|
US20050075347A1_p0012_x1599_y1501_c00032
|
0351.cdx
ChemDraw02280512152D
17 18 0 0 0 0 0 0 0 0999 V2000
-1.7862 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 1.0313 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 2.6812 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 -0.2062 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 -0.2062 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 -1.4437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 -2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 -2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 1 1 0
2 7 1 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 2 0
11 12 1 0
12 7 2 0
11 13 1 0
13 14 1 0
14 15 1 0
16 17 1 0
17 13 1 0
M END
|
CCN(CC)c1ccnc(N2CCNCC2)n1
|
[C][C][N][Branch1][Ring1][C][C][C][=C][C][=N][C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][=N][Ring1][N]
|
InChI=1S/C12H21N5/c1-3-16(4-2)11-5-6-14-12(15-11)17-9-7-13-8-10-17/h5-6,13H,3-4,7-10H2,1-2H3
|
|
US20070105909A1_p0022_x0476_y0701_c00044
|
0011.cdx
ChemDraw03290720042D
12 12 0 0 0 0 0 0 0 0999 V2000
-1.0717 0.0553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 -0.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 -1.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 -0.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 0.0553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 0.4678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 0.4678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4842 -0.2467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6592 1.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 0.8803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 0.4678 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 -1.1822 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
5 6 2 0
6 1 1 0
5 7 1 0
7 8 1 0
7 9 1 0
7 10 1 0
11 1 1 0
2 12 1 0
M END
|
CC(C)(C)c1ccc(Cl)c(F)c1
|
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][F][=C][Ring1][Branch2]
|
InChI=1S/C10H12ClF/c1-10(2,3)7-4-5-8(11)9(12)6-7/h4-6H,1-3H3
|
|
US20050009817A1_p0036_x0626_y2498_c00102
|
0680.cdx
ChemDraw12190420282D
10 10 0 0 0 0 0 0 0 0999 V2000
-0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -0.8250 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6039 -0.8250 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
2 7 1 0
5 8 1 0
4 9 1 0
9 10 3 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 9 10
M SBL 1 1 9
M SMT 1 CN
M SBV 1 9 -4.7107 3.4531
M END
|
N#Cc1cc(Br)ccc1N
|
[N][#C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][N]
|
InChI=1S/C7H5BrN2/c8-6-1-2-7(10)5(3-6)4-9/h1-3H,10H2
|
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