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O=C1O[C@]2(CN3CCC2CC3)CN1c1csc(-c2ccncc2)c1
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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][S][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Ring1][O]
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US20060122222A1_p0028_x0587_y0762_c00082
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0771.cdx
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COC(=O)C1CC(O)CN1C(=O)OC(C)(C)C
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[C][O][C][=Branch1][C][=O][C][C][C][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]
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InChI=1S/C11H19NO5/c1-11(2,3)17-10(15)12-6-7(13)5-8(12)9(14)16-4/h7-8,13H,5-6H2,1-4H3
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M STY 1 1 SUP
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CC(=O)Nc1nc2c(Oc3cc(I)ncn3)cccc2s1
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[C][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][=N][O][C][=C][C][Branch1][C][I][=N][C][=N][Ring1][#Branch1][C][=C][C][=C][Ring1][=C][S][Ring1][P]
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CC(C)(C)OC(=O)N1CC(Sc2ccc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)CC1C(=O)O
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[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][Branch2][Ring2][=N][S][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][C][Ring2][Ring1][#C][C][=Branch1][C][=O][O]
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InChI=1S/C34H31NO5S/c1-34(2,3)40-33(38)35-20-25(19-29(35)32(36)37)41-24-17-15-22(16-18-24)21-11-13-23(14-12-21)26-8-6-9-28-27-7-4-5-10-30(27)39-31(26)28/h4-18,25,29H,19-20H2,1-3H3,(H,36,37)
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US20070049758A1_p0022_x0521_y2581_c00036
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0023.cdx
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C#Cc1cc(Cc2cnc(N)nc2N)c(C(C)C)cc1OC
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[C][#C][C][=C][C][Branch1][=C][C][C][=C][N][=C][Branch1][C][N][N][=C][Ring1][#Branch1][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring2][Ring1][C][O][C]
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InChI=1S/C17H20N4O/c1-5-11-6-12(14(10(2)3)8-15(11)22-4)7-13-9-20-17(19)21-16(13)18/h1,6,8-10H,7H2,2-4H3,(H4,18,19,20,21)
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COc1ccc(C2=NN(CC(=O)O)C(c3ccc(-c4cccc5c4oc4ccccc45)cc3)C2)cc1
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[C][O][C][=C][C][=C][Branch2][Branch1][Ring1][C][=N][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][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][Ring2][Ring1][N][C][=C][Ring2][Ring2][C]
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M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 25 26 27
M SBL 1 1 26
M SMT 1 CO2H
M SBV 1 26 -4.5750 2.9663
M END
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CCCCCC(C)(O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1
|
[C][C][C][C][C][C][Branch1][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/C22H31NO4/c1-3-4-5-14-22(2,27)15-12-19-10-11-20(24)23(19)16-13-17-6-8-18(9-7-17)21(25)26/h6-9,12,15,19,27H,3-5,10-11,13-14,16H2,1-2H3,(H,25,26)/b15-12+/t19-,22?/m1/s1
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US20050004369A1_p0023_x1328_y2452_c00040
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0720.cdx
ChemDraw12020423052D
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27 28 1 0
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31 32 2 0
32 27 1 0
M END
|
O=C(O)CCSCc1ccc(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1
|
[O][=C][Branch1][C][O][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]
|
InChI=1S/C28H22O3S/c29-27(30)16-17-32-18-19-8-10-20(11-9-19)21-12-14-22(15-13-21)23-5-3-6-25-24-4-1-2-7-26(24)31-28(23)25/h1-15H,16-18H2,(H,29,30)
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US20070155803A1_p0017_x1319_y0817_c00023
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0381.cdx
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M END
|
CC[C@H](N)C(=O)NNC(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](Cc1cccc(F)c1)C(N)=O
|
[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][=N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Branch1][C][N][=O]
|
InChI=1S/C24H31FN6O4/c1-2-18(26)22(33)30-31-24(35)29-19(12-11-15-7-4-3-5-8-15)23(34)28-20(21(27)32)14-16-9-6-10-17(25)13-16/h3-10,13,18-20H,2,11-12,14,26H2,1H3,(H2,27,32)(H,28,34)(H,30,33)(H2,29,31,35)/t18-,19-,20-/m0/s1
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US20050182067A1_p0043_x0765_y2660_c00157
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0003.cdx
ChemDraw07280514212D
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[4*]Nc1cc(C)cnn1
| null | ||
US20070105909A1_p0033_x1401_y1769_c00105
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0510.cdx
ChemDraw03260715432D
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M END
|
CCS(=O)(=O)Cn1nc(C2CC2)c(Oc2ccc(C#N)cc2)c1C1CC1
|
[C][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/C19H21N3O3S/c1-2-26(23,24)12-22-18(15-7-8-15)19(17(21-22)14-5-6-14)25-16-9-3-13(11-20)4-10-16/h3-4,9-10,14-15H,2,5-8,12H2,1H3
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US20060122222A1_p0031_x1392_y1870_c00090
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0890.cdx
ChemDraw04260609482D
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M END
|
O=C(O)CCC(=O)c1cn(-c2nc(N3CCN(c4ccccc4)CC3)nc(N3CCCc4ccccc43)n2)c2ccc(Cl)cc12
|
[O][=C][Branch1][C][O][C][C][C][=Branch1][C][=O][C][=C][N][Branch2][Ring2][#C][C][=N][C][Branch2][Ring1][Ring1][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][=N][C][Branch1][#C][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=N][Ring2][Ring1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring2][Ring2][=Branch1][Ring1][#Branch1]
|
InChI=1S/C34H32ClN7O3/c35-24-12-13-29-26(21-24)27(30(43)14-15-31(44)45)22-42(29)34-37-32(40-19-17-39(18-20-40)25-9-2-1-3-10-25)36-33(38-34)41-16-6-8-23-7-4-5-11-28(23)41/h1-5,7,9-13,21-22H,6,8,14-20H2,(H,44,45)
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US20050288357A1_p0048_x0502_y0752_c00087
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0910.cdx
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M END
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O=C(O)c1ccc(CCN2C(=O)CC[C@@H]2/C=C/C(O)C2(c3ccc(Cl)cc3)CC2)cc1
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[O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Ring2][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C@@H1][Ring1][=Branch1][/C][=C][/C][Branch1][C][O][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][#Branch2][C][=C][Ring2][Ring1][N]
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InChI=1S/C25H26ClNO4/c26-20-7-5-19(6-8-20)25(14-15-25)22(28)11-9-21-10-12-23(29)27(21)16-13-17-1-3-18(4-2-17)24(30)31/h1-9,11,21-22,28H,10,12-16H2,(H,30,31)/b11-9+/t21-,22?/m0/s1
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US20050227932A1_p0025_x1375_y0776_c00026
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0552.cdx
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M END
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C#Cc1ccc2c(c1)C(=O)N([C@H](C)c1ccc(Cl)cc1)[C@@H](c1ccc(Cl)cc1)C(=O)N2CCCCC(=O)O
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[C][#C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][S][C@H1][Branch1][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C@@H1][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Ring2][Ring1][#Branch2][C][C][C][C][C][=Branch1][C][=O][O]
|
InChI=1S/C30H26Cl2N2O4/c1-3-20-7-16-26-25(18-20)29(37)34(19(2)21-8-12-23(31)13-9-21)28(22-10-14-24(32)15-11-22)30(38)33(26)17-5-4-6-27(35)36/h1,7-16,18-19,28H,4-6,17H2,2H3,(H,35,36)/t19-,28+/m1/s1
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US20050009817A1_p0025_x0563_y2390_c00079
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0021.cdx
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M END
|
O=C(O)CCC(=O)c1cn(-c2nc(NC(Cc3ccccc3)C(=O)O)c3cc(-c4ccco4)ccc3n2)c2ccc(Br)cc12
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[O][=C][Branch1][C][O][C][C][C][=Branch1][C][=O][C][=C][N][Branch2][Ring2][=C][C][=N][C][Branch2][Ring1][Ring1][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][=C][C][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][Ring1][O][=N][Ring2][Ring1][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring2][Ring2][Branch1][Ring1][#Branch1]
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InChI=1S/C33H25BrN4O6/c34-21-9-11-27-22(17-21)24(28(39)12-13-30(40)41)18-38(27)33-36-25-10-8-20(29-7-4-14-44-29)16-23(25)31(37-33)35-26(32(42)43)15-19-5-2-1-3-6-19/h1-11,14,16-18,26H,12-13,15H2,(H,40,41)(H,42,43)(H,35,36,37)
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US20050004369A1_p0025_x0341_y0728_c00043
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0750.cdx
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M END
|
COC(=O)C(C)(C)CSCc1ccc(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1
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[C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][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]
|
InChI=1S/C31H28O3S/c1-31(2,30(32)33-3)20-35-19-21-11-13-22(14-12-21)23-15-17-24(18-16-23)25-8-6-9-27-26-7-4-5-10-28(26)34-29(25)27/h4-18H,19-20H2,1-3H3
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US20070049758A1_p0017_x0862_y1871_c00015
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M END
|
COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C#Cc1ccccc1
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[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][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
InChI=1S/C22H22N4O2/c1-14(2)17-12-18(27-3)16(10-9-15-7-5-4-6-8-15)11-19(17)28-20-13-25-22(24)26-21(20)23/h4-8,11-14H,1-3H3,(H4,23,24,25,26)
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US20050004369A1_p0031_x0443_y0881_c00059
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0008.cdx
ChemDraw12060401532D
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M END
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O=C(O)CCC(=O)c1ccc(-c2ccc(-c3c(Cc4ccccc4)oc4ccccc34)cc2)cc1
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[O][=C][Branch1][C][O][C][C][C][=Branch1][C][=O][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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M END
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O=C(O)CN(Cc1ccccc1)C(=O)c1ccc(-c2ccc(-n3ccc4ccccc43)cc2)cc1
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[O][=C][Branch1][C][O][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][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]
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O=C1OC2(CN3CCC2CC3)CN1c1ncc(-c2ccccn2)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][C][=N][Ring1][=Branch1][S][Ring1][O]
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CO/N=C/c1c(N)ncnc1N1CCC(OC(=O)Nc2ccc(OC(C)C)cc2)CC1
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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][#Branch1][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][C][C][Ring2][Ring1][Ring2]
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InChI=1S/C21H28N6O4/c1-14(2)30-16-6-4-15(5-7-16)26-21(28)31-17-8-10-27(11-9-17)20-18(12-25-29-3)19(22)23-13-24-20/h4-7,12-14,17H,8-11H2,1-3H3,(H,26,28)(H2,22,23,24)/b25-12+
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CC(=O)N1CCc2c(c(-c3ccc(Br)cc3)nn2CC(O)CN2CCC(n3c(=O)oc4ccccc43)CC2)C1
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[C][C][=Branch1][C][=O][N][C][C][C][=C][Branch2][Branch1][Ring1][C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=N][N][Ring1][N][C][C][Branch1][C][O][C][N][C][C][C][Branch1][P][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][C][Ring1][S][C][Ring2][Ring2][Ring2]
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InChI=1S/C29H32BrN5O4/c1-19(36)33-15-12-25-24(18-33)28(20-6-8-21(30)9-7-20)31-34(25)17-23(37)16-32-13-10-22(11-14-32)35-26-4-2-3-5-27(26)39-29(35)38/h2-9,22-23,37H,10-18H2,1H3
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c1ccc2c(c1)oc1c3cccnc3ccc21
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[C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=N][C][Ring1][=Branch1][=C][C][=C][Ring1][=C][Ring1][#Branch2]
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3.5724 -1.1026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.1434 1.3724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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4.3692 1.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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31 32 1 0
32 33 2 0
33 20 1 0
M END
|
Cc1cc(CN(CCCOc2cccc(CC(=O)O)c2)C[C@H](C)c2ccccc2)ccc1F
|
[C][C][=C][C][Branch2][Ring2][#Branch1][C][N][Branch2][Ring1][Branch1][C][C][C][O][C][=C][C][=C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][=C][Ring1][#Branch2][C][C@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][#C][F]
|
InChI=1S/C28H32FNO3/c1-21-16-24(12-13-27(21)29)20-30(19-22(2)25-9-4-3-5-10-25)14-7-15-33-26-11-6-8-23(17-26)18-28(31)32/h3-6,8-13,16-17,22H,7,14-15,18-20H2,1-2H3,(H,31,32)/t22-/m0/s1
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US20030130506A1_p0043_x0899_y1697_c00142
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1090.mol
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A 7
MeO
A 25
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M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 42 43 44
M SBL 1 1 45
M SMT 1 NO2
M SBV 1 45 -7.5839 4.3811
M END
|
Cc1ccc2oc(=O)cc(CC(=O)N3CCCC3C(=O)*C*NC(CNc3ccc([N+](=O)[O-])cc3)C(=O)**N)c2c1
| null | ||
US20080113922A1_p0015_x0364_y1153_c00047
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00053001.cdx
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M END
|
CCOc1ccc(Cc2cc([C@H](O)[C@H](O)[C@@H](O)[C@H](O)/C=N/O)ccc2Cl)cc1
|
[C][C][O][C][=C][C][=C][Branch2][Ring1][P][C][C][=C][C][Branch2][Ring1][Ring2][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][/C][=N][/O][=C][C][=C][Ring1][P][Cl][C][=C][Ring2][Ring1][=Branch2]
|
InChI=1S/C20H24ClNO6/c1-2-28-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)21)18(24)20(26)19(25)17(23)11-22-27/h3-8,10-11,17-20,23-27H,2,9H2,1H3/b22-11+/t17-,18+,19+,20+/m1/s1
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US20050227932A1_p0042_x0404_y1405_c00079
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0960.cdx
ChemDraw09090515172D
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M END
|
C=CCOc1cc(Cl)ccc1[C@H]1C(=O)N(CCCCC(=O)O)c2ccc(I)cc2C(=O)N1[C@H](C)c1ccc(Cl)cc1
|
[C][=C][C][O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C@H1][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Ring2][Ring1][Branch1][C@H1][Branch1][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
|
InChI=1S/C31H29Cl2IN2O5/c1-3-16-41-27-17-22(33)11-13-24(27)29-31(40)35(15-5-4-6-28(37)38)26-14-12-23(34)18-25(26)30(39)36(29)19(2)20-7-9-21(32)10-8-20/h3,7-14,17-19,29H,1,4-6,15-16H2,2H3,(H,37,38)/t19-,29+/m1/s1
|
|
US20050288357A1_p0062_x0568_y2346_c00113
|
1210.cdx
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Q
M END
|
*C1CC(=O)N(CCB)C1C=[CH][U][C](C)(O)[V]
| null | ||
US20040266789A1_p0017_x1393_y2647_c00027
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0491.cdx
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25 20 1 0
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M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 26 27
M SBL 1 1 30
M SMT 1 CHO
M SBV 1 30 -4.8615 2.5838
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
|
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US20050182067A1_p0032_x0359_y2693_c00112
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0630.cdx
ChemDraw07100522442D
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31 28 1 0
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33 34 2 0
34 35 1 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 4 32 33 34 35
M SBL 1 1 36
M SMT 1 NHAc
M SBV 1 36 -5.2686 5.5778
M END
|
CC(=O)Nc1nc2c(Nc3cc(N4CCN([C@H](C)c5ccc(F)cc5)CC4)ncn3)cccc2s1
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[C][C][=Branch1][C][=O][N][C][=N][C][=C][Branch2][Ring2][#Branch1][N][C][=C][C][Branch2][Ring1][#Branch2][N][C][C][N][Branch1][S][C@H1][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][#C][=N][C][=N][Ring2][Ring1][Branch1][C][=C][C][=C][Ring2][Ring1][N][S][Ring2][Ring1][#C]
|
InChI=1S/C25H26FN7OS/c1-16(18-6-8-19(26)9-7-18)32-10-12-33(13-11-32)23-14-22(27-15-28-23)30-20-4-3-5-21-24(20)31-25(35-21)29-17(2)34/h3-9,14-16H,10-13H2,1-2H3,(H,27,28,30)(H,29,31,34)/t16-/m1/s1
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US20070265270A1_p0035_x1453_y1832_c00140
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0730.cdx
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0.7145 -1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.5724 3.0938 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
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21 22 1 0
22 23 2 0
23 24 1 0
24 25 2 0
25 20 1 0
23 26 1 0
26 27 1 0
15 28 1 0
11 29 1 0
M END
|
COc1ccc(C2OCCN(c3cnnc4cc(OC)c(OC)cc34)C2C)cc1
|
[C][O][C][=C][C][=C][Branch2][Ring2][Ring2][C][O][C][C][N][Branch2][Ring1][#Branch1][C][=C][N][=N][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][=C][Ring1][#Branch2][C][Ring2][Ring1][Ring2][C][C][=C][Ring2][Ring1][O]
|
InChI=1S/C22H25N3O4/c1-14-22(15-5-7-16(26-2)8-6-15)29-10-9-25(14)19-13-23-24-18-12-21(28-4)20(27-3)11-17(18)19/h5-8,11-14,22H,9-10H2,1-4H3
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US20070265270A1_p0030_x1516_y1469_c00123
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0632.cdx
ChemDraw10080710052D
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2.1434 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
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11 20 1 0
16 21 1 4
21 22 1 0
22 23 2 0
23 24 1 0
24 25 2 0
25 26 1 0
26 27 2 0
27 22 1 0
M END
|
COc1cc2nncc(N3CCCC(Cc4ccccc4)C3)c2cc1OC
|
[C][O][C][=C][C][=N][N][=C][C][Branch2][Ring1][Ring2][N][C][C][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][#Branch1][O][C]
|
InChI=1S/C22H25N3O2/c1-26-21-12-18-19(13-22(21)27-2)24-23-14-20(18)25-10-6-9-17(15-25)11-16-7-4-3-5-8-16/h3-5,7-8,12-14,17H,6,9-11,15H2,1-2H3
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US20040266789A1_p0010_x1201_y1884_c00012
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0001.cdx
ChemDraw11290409122D
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2.7976 -2.0849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7033 2.9618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3164 3.5139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1010 3.2589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2726 2.4520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
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4 5 1 0
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5 41 2 0
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43 44 1 0
44 1 2 0
M END
|
O=C(N[C@@H](CSCc1ccc(-c2ccc(-c3c(Cc4ccccc4)oc4ccccc34)cc2)cc1)C(=O)O)c1ccccc1
|
[O][=C][Branch2][Branch1][=C][N][C@@H1][Branch2][Branch1][Ring2][C][S][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][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
InChI=1S/C38H31NO4S/c40-37(31-11-5-2-6-12-31)39-33(38(41)42)25-44-24-27-15-17-28(18-16-27)29-19-21-30(22-20-29)36-32-13-7-8-14-34(32)43-35(36)23-26-9-3-1-4-10-26/h1-22,33H,23-25H2,(H,39,40)(H,41,42)/t33-/m0/s1
|
|
US20040266789A1_p0044_x1494_y2583_c00074
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1340.cdx
ChemDraw11280401432D
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15 10 1 0
8 16 2 0
16 17 1 0
17 18 2 0
18 19 1 0
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13 20 1 0
20 21 1 0
20 22 1 0
20 23 1 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 4 20 21 22 23
M SBL 1 1 23
M SMT 1 TMS
M SBV 1 23 -4.8198 2.4014
M END
|
C[Si](C)(C)c1ccc(-c2cccc3c2oc2ccccc23)cc1
|
[C][Si][Branch1][C][C][Branch1][C][C][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]
|
InChI=1S/C21H20OSi/c1-23(2,3)16-13-11-15(12-14-16)17-8-6-9-19-18-7-4-5-10-20(18)22-21(17)19/h4-14H,1-3H3
|
|
US20050182067A1_p0032_x0501_y1621_c00111
|
0621.cdx
ChemDraw07130515592D
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1.6062 1.9658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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14 9 1 0
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15 16 1 0
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19 20 2 0
20 21 1 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 4 18 19 20 21
M SBL 1 1 20
M SMT 1 NHAc
M SBV 1 20 -5.3892 5.5378
M END
|
CC(=O)Nc1nc2c(Nc3cc(Cl)ncn3)cccc2s1
|
[C][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][=N][N][C][=C][C][Branch1][C][Cl][=N][C][=N][Ring1][#Branch1][C][=C][C][=C][Ring1][=C][S][Ring1][P]
|
InChI=1S/C13H10ClN5OS/c1-7(20)17-13-19-12-8(3-2-4-9(12)21-13)18-11-5-10(14)15-6-16-11/h2-6H,1H3,(H,15,16,18)(H,17,19,20)
|
|
US20050002859A1_p0022_x1431_y2426_c00111
|
0311.cdx
ChemDraw11260400102D
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M END
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[2*]NC(=O)Cc1c(C)n(C(=O)c2ccc([7*])cc2[8*])c2ccc(OC)cc12
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US20060122222A1_p0025_x1418_y2582_c00073
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0720.cdx
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M END
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CCCCc1oc2ccccc2c1Cc1ccc(B2OC(C)(C)C(C)(C)O2)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][Ring1][Ring2][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2][C][=C][Ring1][#C]
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InChI=1S/C25H31BO3/c1-6-7-11-23-21(20-10-8-9-12-22(20)27-23)17-18-13-15-19(16-14-18)26-28-24(2,3)25(4,5)29-26/h8-10,12-16H,6-7,11,17H2,1-5H3
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US20030130506A1_p0046_x1541_y1396_c00157
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1181.mol
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[1*]C1([2*])SCCN[C@H]1C(=O)OC
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US20070270434A1_p0022_x1376_y2616_c00060
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O=C(O)C1Cc2cccc(S(=O)(=O)N3CCN(CCc4ccc(C(F)(F)F)cc4)CC3)c2C1
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[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][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][C][Ring2][Ring1][C][=C][Ring2][Ring1][O][C][Ring2][Ring1][=C]
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InChI=1S/C23H25F3N2O4S/c24-23(25,26)19-6-4-16(5-7-19)8-9-27-10-12-28(13-11-27)33(31,32)21-3-1-2-17-14-18(22(29)30)15-20(17)21/h1-7,18H,8-15H2,(H,29,30)
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US20070117785A1_p0039_x0338_y0639_c00076
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CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2CCCN2CCC(N3C(=O)Cc4ccccc43)CC2)C1
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[C][S][=Branch1][C][=O][=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][C][N][C][C][C][Branch1][P][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][C][Ring1][S][C][Ring2][Ring2][=Branch1]
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InChI=1S/C30H34F3N5O3S/c1-42(40,41)36-18-13-27-25(20-36)29(21-7-9-23(10-8-21)30(31,32)33)34-37(27)15-4-14-35-16-11-24(12-17-35)38-26-6-3-2-5-22(26)19-28(38)39/h2-3,5-10,24H,4,11-20H2,1H3
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M END
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CCOc1ccc(Cc2cccc([C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)N3C)c2)cc1
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[C][C][O][C][=C][C][=C][Branch2][Ring2][Ring2][C][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C@H1][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Branch1][Ring1][C][O][N][Ring1][O][C][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][=Branch2]
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M END
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CCCCc1oc2ccccc2c1Cc1ccc(-c2ccc(OCCCc3ccccc3)c(NC(=O)CCCC(=O)O)c2)cc1
|
[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][=C][N][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][O][=C][Ring2][Ring1][=Branch2][C][=C][Ring2][Ring1][#C]
|
InChI=1S/C39H41NO5/c1-2-3-15-36-33(32-14-7-8-16-35(32)45-36)26-29-19-21-30(22-20-29)31-23-24-37(44-25-10-13-28-11-5-4-6-12-28)34(27-31)40-38(41)17-9-18-39(42)43/h4-8,11-12,14,16,19-24,27H,2-3,9-10,13,15,17-18,25-26H2,1H3,(H,40,41)(H,42,43)
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US20060281700A1_p0075_x1376_y1812_c00130
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0862.cdx
ChemDraw10270609582D
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27 28 2 0
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M END
|
CC(C)Oc1ccc(NC(=O)OC2CCN(c3ncnc(N)c3C=O)CC2)cc1
|
[C][C][Branch1][C][C][O][C][=C][C][=C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][O][C][C][C][N][Branch1][=C][C][=N][C][=N][C][Branch1][C][N][=C][Ring1][#Branch1][C][=O][C][C][Ring1][#C][C][=C][Ring2][Ring1][=Branch2]
|
InChI=1S/C20H25N5O4/c1-13(2)28-15-5-3-14(4-6-15)24-20(27)29-16-7-9-25(10-8-16)19-17(11-26)18(21)22-12-23-19/h3-6,11-13,16H,7-10H2,1-2H3,(H,24,27)(H2,21,22,23)
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US20050004369A1_p0028_x1121_y2560_c00052
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0001.cdx
ChemDraw12060401302D
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37 38 1 0
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M END
|
CCCCc1c(-c2ccc(-c3ccc(C(=O)N(CC(=O)O)Cc4ccccc4)cc3)cc2)cn2ccccc12
|
[C][C][C][C][C][C][Branch2][Ring2][#C][C][=C][C][=C][Branch2][Ring2][Ring1][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][#Branch2][=C][N][C][=C][C][=C][C][=Ring2][Ring2][Ring1][Ring1][=Branch1]
|
InChI=1S/C34H32N2O3/c1-2-3-11-30-31(23-35-21-8-7-12-32(30)35)28-17-13-26(14-18-28)27-15-19-29(20-16-27)34(39)36(24-33(37)38)22-25-9-5-4-6-10-25/h4-10,12-21,23H,2-3,11,22,24H2,1H3,(H,37,38)
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US20070105909A1_p0020_x1016_y2754_c00035
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0002.cdx
ChemDraw03290720012D
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M END
|
Cc1cc(C(C)(C)C)cc(C)c1C#N
|
[C][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][C][C][=C][Ring1][O][C][#N]
|
InChI=1S/C13H17N/c1-9-6-11(13(3,4)5)7-10(2)12(9)8-14/h6-7H,1-5H3
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US20050004369A1_p0021_x0445_y2481_c00032
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0640.cdx
ChemDraw12020422552D
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M END
|
CCCCc1oc2ccccc2c1Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1
|
[C][C][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][C][=C][C][=C][Branch2][Ring1][Ring2][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2][C][=C][Ring1][#C]
|
InChI=1S/C25H31BO3/c1-6-7-11-23-21(20-10-8-9-12-22(20)27-23)17-18-13-15-19(16-14-18)26-28-24(2,3)25(4,5)29-26/h8-10,12-16H,6-7,11,17H2,1-5H3
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US20070117785A1_p0052_x1309_y2707_c00095
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1210.cdx
ChemDraw03300712292D
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M STY 1 1 SUP
M SLB 1 1 1
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M SBL 1 1 44
M SMT 1 CF3
M SBV 1 44 -5.2267 2.9154
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 1 43
M SBL 2 1 48
M SMT 2 Me
M SBV 2 48 -5.7377 2.0271
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 1 44
M SBL 3 1 49
M SMT 3 Me
M SBV 3 49 -6.5497 3.0854
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Cn1c(=O)n(C2CCN(C[C@H](O)Cn3nc(-c4ccc(C(F)(F)F)cc4)c4c3CCN(S(C)(=O)=O)C4)CC2)c2ccccc21
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[C][N][C][=Branch1][C][=O][N][Branch2][Branch1][#C][C][C][C][N][Branch2][Branch1][Ring1][C][C@H1][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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US20070105909A1_p0026_x1470_y0921_c00066
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0411.cdx
ChemDraw03250720122D
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M END
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N#Cc1ccc(Oc2c(C3CC3)nn(CO)c2C2CC2)cc1
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[N][#C][C][=C][C][=C][Branch2][Ring1][=Branch2][O][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][N][Branch1][Ring1][C][O][C][=Ring1][#Branch2][C][C][C][Ring1][Ring1][C][=C][Ring2][Ring1][Ring2]
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InChI=1S/C17H17N3O2/c18-9-11-1-7-14(8-2-11)22-17-15(12-3-4-12)19-20(10-21)16(17)13-5-6-13/h1-2,7-8,12-13,21H,3-6,10H2
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US20050002859A1_p0016_x0405_y2681_c00096
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0132.cdx
ChemDraw11250423522D
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CCCCC#CCSc1ccccc1OC(=O)CF
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[C][C][C][C][C][#C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][C][F]
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InChI=1S/C15H17FO2S/c1-2-3-4-5-8-11-19-14-10-7-6-9-13(14)18-15(17)12-16/h6-7,9-10H,2-4,11-12H2,1H3
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US20070049758A1_p0025_x0463_y1954_c00048
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0035.cdx
ChemDraw01140702442D
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C#Cc1cc(Oc2cnc(NC(C)CO)nc2N)c(C(C)C)cc1OC
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[C][#C][C][=C][C][Branch2][Ring1][Ring2][O][C][=C][N][=C][Branch1][Branch2][N][C][Branch1][C][C][C][O][N][=C][Ring1][O][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring2][Ring1][=Branch1][O][C]
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InChI=1S/C19H24N4O3/c1-6-13-7-16(14(11(2)3)8-15(13)25-5)26-17-9-21-19(23-18(17)20)22-12(4)10-24/h1,7-9,11-12,24H,10H2,2-5H3,(H3,20,21,22,23)
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US20050182067A1_p0037_x0634_y1067_c00138
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0712.cdx
ChemDraw07100519522D
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Nc1cccc2c1NC(=O)CO2
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[N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][Ring1][#Branch1]
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InChI=1S/C8H8N2O2/c9-5-2-1-3-6-8(5)10-7(11)4-12-6/h1-3H,4,9H2,(H,10,11)
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US20070270434A1_p0021_x0352_y0784_c00052
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00055001.cdx
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M STY 1 1 SUP
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M END
|
C[C@@H]1CN(C(=O)Cc2ccc(C(F)(F)F)cc2)C[C@H](C)N1S(=O)(=O)c1cccc2c1CC(C(=O)O)C2
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[C][C@@H1][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][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]
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InChI=1S/C25H27F3N2O5S/c1-15-13-29(23(31)10-17-6-8-20(9-7-17)25(26,27)28)14-16(2)30(15)36(34,35)22-5-3-4-18-11-19(24(32)33)12-21(18)22/h3-9,15-16,19H,10-14H2,1-2H3,(H,32,33)/t15-,16+,19?
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US20070105909A1_p0025_x1480_y1133_c00062
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0401.cdx
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Cc1cc(Oc2c[nH]nc2C2CC2)cc(C)c1C#N
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[C][C][=C][C][Branch1][=C][O][C][=C][NH1][N][=C][Ring1][Branch1][C][C][C][Ring1][Ring1][=C][C][Branch1][C][C][=C][Ring1][S][C][#N]
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InChI=1S/C15H15N3O/c1-9-5-12(6-10(2)13(9)7-16)19-14-8-17-18-15(14)11-3-4-11/h5-6,8,11H,3-4H2,1-2H3,(H,17,18)
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0680.cdx
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CC(=O)N1CCc2c(c(-c3ccc(Cl)c(C)c3)nn2CC(O)CN2CCC(N3CCc4ccccc43)CC2)C1
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[C][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][C][=C][Ring1][Branch2][=N][N][Ring1][=N][C][C][Branch1][C][O][C][N][C][C][C][Branch1][=C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][C][Ring1][#C][C][Ring2][Ring2][Ring2]
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COc1c(C2CC2)n[nH]c1C1CC1
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C[C@@H](CN(CCCOc1cccc(CC(=O)O)c1)Cc1ccc(N2CCCCC2)o1)c1ccccc1
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C[Si](C)(C)c1ccc(-c2cccc3c2oc2ccccc23)cc1
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O=C(O)C1CN(C(=O)c2ccc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)CCN1
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[O][=C][Branch1][C][O][C][C][N][Branch2][Ring2][S][C][=Branch1][C][=O][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][C][N][Ring2][Ring1][P]
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InChI=1S/C30H24N2O4/c33-29(32-17-16-31-26(18-32)30(34)35)22-14-10-20(11-15-22)19-8-12-21(13-9-19)23-5-3-6-25-24-4-1-2-7-27(24)36-28(23)25/h1-15,26,31H,16-18H2,(H,34,35)
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US20050288357A1_p0057_x0482_y0671_c00110
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0005.cdx
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CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)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][=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-/m0/s1
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US20040229890A1_p0014_x0523_y1599_c00060
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M END
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CCCN(CCC)c1nc(N)nc2cc(-c3ccccc3C(F)(F)F)c3c(ccn3C)c12
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[C][C][C][N][Branch1][Ring2][C][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][#Branch1][C][=C][N][Ring1][Branch1][C][=C][Ring2][Ring1][=Branch2][Ring2][Ring1][Ring2]
|
InChI=1S/C24H26F3N5/c1-4-11-32(12-5-2)22-20-16-10-13-31(3)21(16)17(14-19(20)29-23(28)30-22)15-8-6-7-9-18(15)24(25,26)27/h6-10,13-14H,4-5,11-12H2,1-3H3,(H2,28,29,30)
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US20040266789A1_p0043_x1489_y0717_c00071
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1300.cdx
ChemDraw12020413442D
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M END
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CCCCc1oc2ccccc2c1C(=O)c1ccc(Br)cc1
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[C][C][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]
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InChI=1S/C19H17BrO2/c1-2-3-7-17-18(15-6-4-5-8-16(15)22-17)19(21)13-9-11-14(20)12-10-13/h4-6,8-12H,2-3,7H2,1H3
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US20050004369A1_p0029_x0443_y1380_c00054
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M END
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O=C(O)CNS(=O)(=O)c1ccc(-c2ccc(-c3c(Cc4ccccc4)oc4ccccc34)cc2)cc1
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[O][=C][Branch1][C][O][C][N][S][=Branch1][C][=O][=Branch1][C][=O][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/C29H23NO5S/c31-28(32)19-30-36(33,34)24-16-14-22(15-17-24)21-10-12-23(13-11-21)29-25-8-4-5-9-26(25)35-27(29)18-20-6-2-1-3-7-20/h1-17,30H,18-19H2,(H,31,32)
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US20040266789A1_p0025_x0514_y0789_c00044
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M END
|
COC(=O)[C@H](CSCc1ccccc1Br)NC(=O)OC(C)(C)C
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[C][O][C][=Branch1][C][=O][C@H1][Branch1][=N][C][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]
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InChI=1S/C16H22BrNO4S/c1-16(2,3)22-15(20)18-13(14(19)21-4)10-23-9-11-7-5-6-8-12(11)17/h5-8,13H,9-10H2,1-4H3,(H,18,20)/t13-/m0/s1
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US20070117785A1_p0056_x1303_y0877_c00103
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1300.cdx
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2.2659 -2.1898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0093 -0.4383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 4 42 43 44 45
M SBL 1 1 47
M SMT 1 CF3
M SBV 1 47 -4.7819 4.3246
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 1 46
M SBL 2 1 51
M SMT 2 Me
M SBV 2 51 -5.2454 3.5099
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 3 47 48 49
M SBL 3 1 52
M SMT 3 EtO
M SBV 3 52 -5.9037 3.8576
M END
|
CCOC(=O)Cn1c(=O)n(C2CCN(CC(O)Cn3nc(-c4ccc(C(F)(F)F)cc4)c4c3CCN(S(C)(=O)=O)C4)CC2)c2ccccc21
|
[C][C][O][C][=Branch1][C][=O][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]
|
InChI=1S/C33H39F3N6O6S/c1-3-48-30(44)21-40-28-6-4-5-7-29(28)42(32(40)45)24-12-15-38(16-13-24)18-25(43)19-41-27-14-17-39(49(2,46)47)20-26(27)31(37-41)22-8-10-23(11-9-22)33(34,35)36/h4-11,24-25,43H,3,12-21H2,1-2H3
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US20040266789A1_p0033_x1312_y2193_c00057
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1000.cdx
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M END
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CC(C)(C)OC(=O)N[C@@H](CS(=O)Cc1ccc(-c2ccc(-c3c(Cc4ccccc4)oc4ccccc34)cc2)cc1)C(=O)O
|
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C@@H1][Branch2][Branch1][#Branch1][C][S][=Branch1][C][=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][C][=Branch1][C][=O][O]
|
InChI=1S/C36H35NO6S/c1-36(2,3)43-35(40)37-30(34(38)39)23-44(41)22-25-13-15-26(16-14-25)27-17-19-28(20-18-27)33-29-11-7-8-12-31(29)42-32(33)21-24-9-5-4-6-10-24/h4-20,30H,21-23H2,1-3H3,(H,37,40)(H,38,39)/t30-,44?/m0/s1
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US20040266789A1_p0018_x1332_y0624_c00029
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0510.cdx
ChemDraw11280400202D
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28 29 2 0
28 30 1 0
28 31 2 0
M END
|
CS(=O)(=O)OCc1ccc(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][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/C26H20O4S/c1-31(27,28)29-17-18-9-11-19(12-10-18)20-13-15-21(16-14-20)22-6-4-7-24-23-5-2-3-8-25(23)30-26(22)24/h2-16H,17H2,1H3
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US20050182067A1_p0034_x0569_y1730_c00122
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0661.cdx
ChemDraw07130516092D
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14 16 1 0
15 16 2 0
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M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 4 14 15 16 17
M SBL 1 1 15
M SMT 1 NHAc
M SBV 1 15 -5.2462 7.2381
M END
|
CC(=O)Nc1nc2c(OC(C)=O)cccc2s1
|
[C][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][=C][C][=C][Ring1][#Branch2][S][Ring1][=N]
|
InChI=1S/C11H10N2O3S/c1-6(14)12-11-13-10-8(16-7(2)15)4-3-5-9(10)17-11/h3-5H,1-2H3,(H,12,13,14)
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US20070049758A1_p0023_x0553_y1941_c00039
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0026.cdx
ChemDraw01130703112D
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M END
|
C#Cc1ccc(C#C)c(Oc2cnc(N)nc2N)c1
|
[C][#C][C][=C][C][=C][Branch1][Ring1][C][#C][C][Branch1][=C][O][C][=C][N][=C][Branch1][C][N][N][=C][Ring1][#Branch1][N][=C][Ring1][P]
|
InChI=1S/C14H10N4O/c1-3-9-5-6-10(4-2)11(7-9)19-12-8-17-14(16)18-13(12)15/h1-2,5-8H,(H4,15,16,17,18)
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US20050288357A1_p0056_x0489_y1910_c00108
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0003.cdx
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28 30 1 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 28 29 30
M SBL 1 1 31
M SMT 1 CO2H
M SBV 1 31 -2.4739 6.2730
M END
|
O=C(O)c1ccc(CCN2C(=O)CC[C@@H]2/C=C/[C@H](O)C2(c3ccccc3)CC2)cc1
|
[O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Ring2][C][C][C][N][C][=Branch1][C][=O][C][C][C@@H1][Ring1][=Branch1][/C][=C][/C@H1][Branch1][C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=Branch2][C][=C][Ring2][Ring1][O]
|
InChI=1S/C25H27NO4/c27-22(25(15-16-25)20-4-2-1-3-5-20)12-10-21-11-13-23(28)26(21)17-14-18-6-8-19(9-7-18)24(29)30/h1-10,12,21-22,27H,11,13-17H2,(H,29,30)/b12-10+/t21-,22-/m0/s1
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US20060281700A1_p0071_x0445_y0772_c00096
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0001.cdx
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CO/N=C/c1c(N)ncnc1N1CCC(OC(=O)Nc2ccc(OC(C)C)cc2)CC1
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US20040229890A1_p0011_x0530_y1393_c00046
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0250.cdx
ChemDraw10170408162D
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Cc1ccc(-c2cc3nc(N)nc(NCCO)c3c3ccn(C)c23)s1
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[C][C][=C][C][=C][Branch2][Ring1][P][C][=C][C][=N][C][Branch1][C][N][=N][C][Branch1][Branch1][N][C][C][O][=C][Ring1][O][C][C][=C][N][Branch1][C][C][C][Ring2][Ring1][Ring1][=Ring1][=Branch1][S][Ring2][Ring1][Branch2]
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CC[C@H](N)C(=O)NNC(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](Cc1cccc(OC)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][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][=C][C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][Branch1][C][N][=O]
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US20050267177A1_p0023_x1307_y2491_c00076
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0750.cdx
ChemDraw11010513452D
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Cc1cccc(COC[C@H]2CCCC[C@H]2COCc2coc(-c3ccc(F)cc3)n2)c1C(=O)O
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[C][C][=C][C][=C][C][Branch2][Ring2][Ring1][C][O][C][C@H1][C][C][C][C][C@H1][Ring1][=Branch1][C][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][=C][C][=Branch1][C][=O][O]
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US20080113922A1_p0017_x1337_y0967_c00052
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00058001.cdx
ChemDraw03250810362D
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M END
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CCOc1ccc(Cc2cc([C@@H]3NC[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1
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[C][C][O][C][=C][C][=C][Branch2][Ring1][N][C][C][=C][C][Branch1][S][C@@H1][N][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][=C][C][=C][Ring1][#C][Cl][C][=C][Ring2][Ring1][#Branch1]
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US20070155803A1_p0025_x0466_y1275_c00057
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0520.cdx
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M END
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Cc1ccccc1CNC(=O)NNC(=O)[C@H](C)N
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[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N]
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1.0717 -1.4437 0.0000 C 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
1.7862 -0.2062 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
2.5006 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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13 8 1 0
11 14 1 0
M END
|
CC1=[CH][U]=[C](N2CCN(C)CC2)C=C1
|
[C][C][=CH1][U][=CH0][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring1][=N]
|
InChI=1S/C11H17N2.U/c1-11(2)5-4-6-13-9-7-12(3)8-10-13;/h1,4-5H,7-10H2,2-3H3;/b5-4-,11-1?;
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US20040266789A1_p0045_x0514_y1169_c00075
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1350.cdx
ChemDraw11280401432D
22 25 0 0 0 0 0 0 0 0999 V2000
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3.0224 -0.4983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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17 18 1 0
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19 20 1 0
20 9 2 0
16 21 1 0
16 22 1 0
M END
|
OB(O)c1ccc(-c2cccc3c2oc2ccccc23)cc1
|
[O][B][Branch1][C][O][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]
|
InChI=1S/C18H13BO3/c20-19(21)13-10-8-12(9-11-13)14-5-3-6-16-15-4-1-2-7-17(15)22-18(14)16/h1-11,20-21H
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US20030130506A1_p0026_x0577_y0617_c00141
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0541.mol
ChemDraw02280319252D
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1.4950 0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1972 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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M END
|
CC(C)C(C)(C)[Si](C)(C)C
|
[C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][Si][Branch1][C][C][Branch1][C][C][C]
|
InChI=1S/C9H22Si/c1-8(2)9(3,4)10(5,6)7/h8H,1-7H3
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US20050113580A1_p0041_x1328_y1816_c00063
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0750.cdx
ChemDraw04210501202D
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M END
|
Cl.OCC(CO)c1cccc(OCCCN(Cc2cccc(C(F)(F)F)c2Cl)CC(c2ccccc2)c2ccccc2)c1
|
[Cl].[O][C][C][Branch1][Ring1][C][O][C][=C][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][Ring2][Ring2][Branch1]
|
InChI=1S/C34H35ClF3NO3.ClH/c35-33-28(15-8-17-32(33)34(36,37)38)21-39(18-9-19-42-30-16-7-14-27(20-30)29(23-40)24-41)22-31(25-10-3-1-4-11-25)26-12-5-2-6-13-26;/h1-8,10-17,20,29,31,40-41H,9,18-19,21-24H2;1H
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US20070179154A1_p0041_x1499_y0694_c00053
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1720.cdx
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M SLB 1 1 1
M SAL 1 3 21 22 23
M SBL 1 1 23
M SMT 1 CO2H
M SBV 1 23 -4.9947 18.1113
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 1 24
M SBL 2 1 26
M SMT 2 Me
M SBV 2 26 -6.4237 17.2863
M END
|
Cc1cc2c(-c3ccc(Br)cc3)c(CC(=O)O)c(=O)oc2cc1Cl
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[C][C][=C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][=Ring2][Ring1][C][C][=C][Ring2][Ring1][=Branch1][Cl]
|
InChI=1S/C18H12BrClO4/c1-9-6-12-15(8-14(9)20)24-18(23)13(7-16(21)22)17(12)10-2-4-11(19)5-3-10/h2-6,8H,7H2,1H3,(H,21,22)
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|
US20030130506A1_p0010_x0383_y2595_c00033
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0240.mol
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A 18
Z
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 20 21 22
M SBL 1 2 20 21
M SMT 1 SO2
M SBV 1 20 -5.9944 3.9839
M SBV 1 21 -6.3112 2.9760
M END
| null | null | null |
|
US20070117785A1_p0056_x1308_y1739_c00104
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1301.cdx
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41 43 1 0
41 44 1 0
4 45 1 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 1 40
M SBL 1 1 45
M SMT 1 Me
M SBV 1 45 -5.7398 2.8583
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 -5.2308 3.7518
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 -6.6422 3.5508
M END
|
Cn1c(=O)n(C2CCN(C[C@H](O)Cn3nc(-c4ccc(C(F)(F)F)cc4)c4c3CCN(S(C)(=O)=O)C4)CC2)c2cc(Cl)ccc21
|
[C][N][C][=Branch1][C][=O][N][Branch2][Branch1][#C][C][C][C][N][Branch2][Branch1][Ring1][C][C@H1][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][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring2][Ring2][N]
|
InChI=1S/C30H34ClF3N6O4S/c1-36-26-8-7-21(31)15-27(26)40(29(36)42)22-9-12-37(13-10-22)16-23(41)17-39-25-11-14-38(45(2,43)44)18-24(25)28(35-39)19-3-5-20(6-4-19)30(32,33)34/h3-8,15,22-23,41H,9-14,16-18H2,1-2H3/t23-/m0/s1
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US20040229890A1_p0012_x1473_y2023_c00054
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0290.cdx
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M END
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Cn1ccc2c3c(N(CCO)CCO)nc(N)nc3cc(-c3ccccc3C(F)(F)F)c21
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[C][N][C][=C][C][=C][C][Branch1][#Branch2][N][Branch1][Ring2][C][C][O][C][C][O][=N][C][Branch1][C][N][=N][C][Ring1][=C][=C][C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][N][Ring2][Ring1][#C]
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InChI=1S/C22H22F3N5O2/c1-29-7-6-14-18-17(27-21(26)28-20(18)30(8-10-31)9-11-32)12-15(19(14)29)13-4-2-3-5-16(13)22(23,24)25/h2-7,12,31-32H,8-11H2,1H3,(H2,26,27,28)
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US20050267177A1_p0022_x1329_y0809_c00069
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0710.cdx
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M END
|
Cc1cccc(COCC2(COCc3coc(-c4ccc(F)cc4)n3)CC=CCC2)c1C(=O)O
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[C][C][=C][C][=C][C][Branch2][Ring2][#Branch1][C][O][C][C][Branch2][Ring1][Branch2][C][O][C][C][=C][O][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring1][N][C][C][=C][C][C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][=C][C][=Branch1][C][=O][O]
|
InChI=1S/C27H28FNO5/c1-19-6-5-7-21(24(19)26(30)31)14-32-17-27(12-3-2-4-13-27)18-33-15-23-16-34-25(29-23)20-8-10-22(28)11-9-20/h2-3,5-11,16H,4,12-15,17-18H2,1H3,(H,30,31)
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US20070105909A1_p0026_x1477_y2219_c00067
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0420.cdx
ChemDraw03250720122D
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M END
|
N#Cc1ccc(Oc2c(C3CC3)nn(CCl)c2C2CC2)cc1
|
[N][#C][C][=C][C][=C][Branch2][Ring1][=Branch2][O][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][N][Branch1][Ring1][C][Cl][C][=Ring1][#Branch2][C][C][C][Ring1][Ring1][C][=C][Ring2][Ring1][Ring2]
|
InChI=1S/C17H16ClN3O/c18-10-21-16(13-5-6-13)17(15(20-21)12-3-4-12)22-14-7-1-11(9-19)2-8-14/h1-2,7-8,12-13H,3-6,10H2
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US20070270434A1_p0019_x1376_y1048_c00046
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00049001.cdx
ChemDraw06290714172D
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M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 5 32 33 34 35 36
M SBL 1 1 35
M SMT 1 OCF3
M SBV 1 35 -5.7930 16.6805
M END
|
C[C@@H]1CN(C(=O)c2ccc(OC(F)(F)F)cc2)C[C@H](C)N1S(=O)(=O)c1cccc2c1CC(C(=O)O)C2
|
[C][C@@H1][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][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/C24H25F3N2O6S/c1-14-12-28(22(30)16-6-8-19(9-7-16)35-24(25,26)27)13-15(2)29(14)36(33,34)21-5-3-4-17-10-18(23(31)32)11-20(17)21/h3-9,14-15,18H,10-13H2,1-2H3,(H,31,32)/t14-,15+,18?
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US20070179154A1_p0058_x0404_y2474_c00125
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2160.cdx
ChemDraw06110711152D
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4.2868 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
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6 1 2 0
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8 9 1 0
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8 13 1 0
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M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 4 38 39 40 41
M SBL 1 1 41
M SMT 1 CF3
M SBV 1 41 -6.3352 4.1314
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 1 42
M SBL 2 1 45
M SMT 2 Me
M SBV 2 45 -7.0496 4.5439
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 4 43 44 45 46
M SBL 3 1 46
M SMT 3 Bu
M SBV 3 46 -5.6207 5.3689
M END
|
CCCCS(=O)(=O)NC(=O)/C=C/c1cccc(-c2c(CC(=O)Nc3ccc(F)cc3C(F)(F)F)c(=O)oc3cc(Cl)c(C)cc23)c1
|
[C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][Branch2][Branch1][Branch1][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][=C][C][Branch1][C][Cl][=C][Branch1][C][C][C][=C][Ring2][Ring1][N][Ring1][Branch2][=C][Ring2][Ring2][C]
|
InChI=1S/C32H27ClF4N2O6S/c1-3-4-12-46(43,44)39-28(40)11-8-19-6-5-7-20(14-19)30-22-13-18(2)25(33)17-27(22)45-31(42)23(30)16-29(41)38-26-10-9-21(34)15-24(26)32(35,36)37/h5-11,13-15,17H,3-4,12,16H2,1-2H3,(H,38,41)(H,39,40)/b11-8+
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US20070117785A1_p0058_x1303_y0840_c00115
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1340.cdx
ChemDraw03300712382D
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4.8138 0.9132 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
1.2735 -2.5632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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8 5 1 0
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40 41 1 0
40 42 1 0
40 43 1 0
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M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 4 40 41 42 43
M SBL 1 1 45
M SMT 1 CF3
M SBV 1 45 -5.0234 2.3763
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 -5.5843 1.4002
M END
|
CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2CC(O)CN2CCC(N3C(=O)COc4ccccc43)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][C][=C][Ring1][=Branch1][Ring1][O][C][C][Ring1][P][C][Ring2][Ring2][Branch2]
|
InChI=1S/C30H34F3N5O5S/c1-44(41,42)36-15-12-25-24(18-36)29(20-6-8-21(9-7-20)30(31,32)33)34-37(25)17-23(39)16-35-13-10-22(11-14-35)38-26-4-2-3-5-27(26)43-19-28(38)40/h2-9,22-23,39H,10-19H2,1H3
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US20040229890A1_p0013_x1496_y2079_c00058
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0310.cdx
ChemDraw10120411112D
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0.0000 -1.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -0.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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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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
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1.1270 -3.0385 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 3.0385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
3 4 1 0
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20 25 1 0
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25 27 1 0
25 28 1 0
14 29 1 0
M END
|
Cn1ccc2c3c(NCCO)nc(N)nc3cc(-c3ccccc3C(F)(F)F)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][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/C20H18F3N5O/c1-28-8-6-12-16-15(26-19(24)27-18(16)25-7-9-29)10-13(17(12)28)11-4-2-3-5-14(11)20(21,22)23/h2-6,8,10,29H,7,9H2,1H3,(H3,24,25,26,27)
|
|
US20060122222A1_p0035_x0437_y2790_c00095
|
1010.cdx
ChemDraw04260609532D
24 27 0 0 0 0 0 0 0 0999 V2000
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2.7216 0.5122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1382 1.0956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3413 0.8820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5184 0.7257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1018 0.1424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.5226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
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4 5 1 0
5 6 2 0
6 1 1 0
3 7 1 0
7 8 2 0
8 9 1 0
9 4 1 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
13 14 1 0
14 15 2 0
15 10 1 0
13 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
19 22 1 0
22 23 1 0
22 24 2 0
M END
|
O=Cc1ccc(-c2ccc(-n3ccc4ccccc43)cc2)cc1
|
[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/C21H15NO/c23-15-16-5-7-17(8-6-16)18-9-11-20(12-10-18)22-14-13-19-3-1-2-4-21(19)22/h1-15H
|
|
US20050009817A1_p0037_x0470_y2020_c00106
|
0710.cdx
ChemDraw12190420312D
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-1.9607 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.1827 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8972 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.8972 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1827 2.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
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1.6117 2.0625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
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1.6117 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3261 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3261 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6117 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0406 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7551 -1.6500 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
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9 12 1 0
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11 14 1 0
14 15 1 0
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16 17 1 0
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13 18 1 0
13 19 1 0
18 20 2 0
20 21 1 0
21 22 2 0
22 23 1 0
23 24 2 0
24 18 1 0
22 25 1 0
25 26 1 0
M END
|
COc1ccc(Nc2nc(Cl)nc3ccc(-c4ccco4)cc23)cc1
|
[C][O][C][=C][C][=C][Branch2][Ring1][N][N][C][=N][C][Branch1][C][Cl][=N][C][=C][C][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][S][Ring1][O][C][=C][Ring2][Ring1][#Branch1]
|
InChI=1S/C19H14ClN3O2/c1-24-14-7-5-13(6-8-14)21-18-15-11-12(17-3-2-10-25-17)4-9-16(15)22-19(20)23-18/h2-11H,1H3,(H,21,22,23)
|
|
US20070179154A1_p0035_x0404_y2534_c00025
|
1580.cdx
ChemDraw06210720362D
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2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6829 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 -0.8250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.0329 0.0000 0.0000 F 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
4 7 1 0
7 8 2 0
8 9 1 0
9 10 1 0
10 5 1 0
1 11 1 0
2 12 1 0
9 13 2 0
14 8 1 0
15 14 1 0
16 15 1 0
17 16 1 0
15 18 2 0
16 19 1 0
17 20 2 0
20 21 1 0
21 22 2 0
22 23 1 0
23 24 2 0
24 17 1 0
22 25 1 0
7 26 1 0
26 27 2 0
27 28 1 0
28 29 2 0
29 30 1 0
30 31 2 0
31 26 1 0
32 30 1 0
33 32 1 0
34 33 1 0
34 35 2 0
34 36 1 0
36 38 1 0
37 38 1 0
20 39 1 0
39 40 1 0
39 41 1 0
39 42 1 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 36 37 38
M SBL 1 1 39
M SMT 1 OEt
M SBV 1 39 -5.0171 3.9241
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 4 39 40 41 42
M SBL 2 1 42
M SMT 2 CF3
M SBV 2 42 -5.7315 2.6866
M END
|
CCOC(=O)CCc1cccc(-c2c(CC(=O)Nc3ccc(F)cc3C(F)(F)F)c(=O)oc3cc(Cl)c(C)cc23)c1
|
[C][C][O][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][Branch2][Branch1][Branch1][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][=C][C][Branch1][C][Cl][=C][Branch1][C][C][C][=C][Ring2][Ring1][N][Ring1][Branch2][=C][Ring2][Ring2][C]
|
InChI=1S/C30H24ClF4NO5/c1-3-40-27(38)10-7-17-5-4-6-18(12-17)28-20-11-16(2)23(31)15-25(20)41-29(39)21(28)14-26(37)36-24-9-8-19(32)13-22(24)30(33,34)35/h4-6,8-9,11-13,15H,3,7,10,14H2,1-2H3,(H,36,37)
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