 | | 2XK | | Name: | 4-[(4,5-dimethoxy-2-nitrophenyl)acetyl]benzonitrile | | Formula: | C17 H14 N2 O5 | | SMILES: | N#Cc1ccc(cc1)C(=O)Cc2c(cc(OC)c(OC)c2)[N+]([O-])=O | | InChi: | InChI=1S/C17H14N2O5/c1-23-16-8-13(14(19(21)22)9-17(16)24-2)7-15(20)12-5-3-11(10-18)4-6-12/h3-6,8-9H,7H2,1-2H3 | | Definition date: | 2014-05-12 | | Last modified: | 2014-09-05 | | Release date: | 2014-07-02 | | Identifier: | 4-[(4,5-dimethoxy-2-nitrophenyl)acetyl]benzonitrile |
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 | | 30Z | | Name: | 4-[(2R,3S)-3-[(3,4-DIHYDROXYPHENYL)METHYL]-2-METHYLBUTYL]BENZENE-1,2-DIOL | | Formula: | C18 H22 O4 | | SMILES: | Oc1ccc(cc1O)CC(C)C(C)Cc2ccc(O)c(O)c2 | | InChi: | InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3/t11-,12-/m0/s1 | | Definition date: | 2011-06-10 | | Last modified: | 2014-09-05 | | Identifier: | 4,4'-[(2S,3S)-2,3-dimethylbutane-1,4-diyl]dibenzene-1,2-diol |
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 | | 31F | | Name: | 4-(4-oxidanylidene-3H-quinazolin-2-yl)benzenesulfonamide | | Formula: | C14 H11 N3 O3 S | | SMILES: | O=S(=O)(N)c3ccc(C2=Nc1c(cccc1)C(=O)N2)cc3 | | InChi: | InChI=1S/C14H11N3O3S/c15-21(19,20)10-7-5-9(6-8-10)13-16-12-4-2-1-3-11(12)14(18)17-13/h1-8H,(H2,15,19,20)(H,16,17,18) | | Definition date: | 2013-06-24 | | Last modified: | 2014-09-05 | | Release date: | 2013-10-30 | | Identifier: | 4-(4-oxo-3,4-dihydroquinazolin-2-yl)benzenesulfonamide |
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 | | 1X2 | | Name: | 6-isothiocyanatohexylbenzene | | Formula: | C13 H17 N S | | SMILES: | S=C=N/CCCCCCc1ccccc1 | | InChi: | InChI=1S/C13H17NS/c15-12-14-11-7-2-1-4-8-13-9-5-3-6-10-13/h3,5-6,9-10H,1-2,4,7-8,11H2 | | Definition date: | 2014-02-25 | | Last modified: | 2014-09-05 | | Release date: | 2014-03-05 | | Identifier: | (6-isothiocyanatohexyl)benzene |
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 | | B3V | | Name: | N-[2-(diethylamino)ethyl]-3-methoxy-benzenesulfonamide | | Formula: | C13 H22 N2 O3 S | | SMILES: | O=S(=O)(NCCN(CC)CC)c1cc(OC)ccc1 | | InChi: | InChI=1S/C13H22N2O3S/c1-4-15(5-2)10-9-14-19(16,17)13-8-6-7-12(11-13)18-3/h6-8,11,14H,4-5,9-10H2,1-3H3 | | Definition date: | 2012-08-24 | | Last modified: | 2014-09-05 | | Release date: | 2013-09-04 | | Identifier: | N-[2-(diethylamino)ethyl]-3-methoxybenzenesulfonamide |
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 | | B3W | | Name: | 4-chloranyl-N-[2-(diethylamino)ethyl]benzenesulfonamide | | Formula: | C12 H19 Cl N2 O2 S | | SMILES: | O=S(=O)(c1ccc(Cl)cc1)NCCN(CC)CC | | InChi: | InChI=1S/C12H19ClN2O2S/c1-3-15(4-2)10-9-14-18(16,17)12-7-5-11(13)6-8-12/h5-8,14H,3-4,9-10H2,1-2H3 | | Definition date: | 2012-08-24 | | Last modified: | 2014-09-05 | | Release date: | 2013-09-04 | | Identifier: | 4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide |
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 | | B3Z | | Name: | N-[2-(diethylamino)ethyl]-2-fluoranyl-benzenesulfonamide | | Formula: | C12 H19 F N2 O2 S | | SMILES: | Fc1ccccc1S(=O)(=O)NCCN(CC)CC | | InChi: | InChI=1S/C12H19FN2O2S/c1-3-15(4-2)10-9-14-18(16,17)12-8-6-5-7-11(12)13/h5-8,14H,3-4,9-10H2,1-2H3 | | Definition date: | 2012-08-24 | | Last modified: | 2014-09-05 | | Release date: | 2013-09-04 | | Identifier: | N-[2-(diethylamino)ethyl]-2-fluorobenzenesulfonamide |
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 | | 50Q | | Name: | 5-(3,4-dichloro-phenoxy)-benzene-1,3-diol | | Formula: | C12 H8 Cl2 O3 | | SMILES: | Clc2ccc(Oc1cc(O)cc(O)c1)cc2Cl | | InChi: | InChI=1S/C12H8Cl2O3/c13-11-2-1-9(6-12(11)14)17-10-4-7(15)3-8(16)5-10/h1-6,15-16H | | Definition date: | 2013-05-30 | | Last modified: | 2014-09-05 | | Release date: | 2013-10-23 | | Identifier: | 5-(3,4-dichlorophenoxy)benzene-1,3-diol |
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 | | F1A | | Name: | 2,4,6-trimethylbenzenesulfonamide | | Formula: | C9 H13 N O2 S | | SMILES: | O=S(=O)(N)c1c(cc(cc1C)C)C | | InChi: | InChI=1S/C9H13NO2S/c1-6-4-7(2)9(8(3)5-6)13(10,11)12/h4-5H,1-3H3,(H2,10,11,12) | | Definition date: | 2012-11-30 | | Last modified: | 2014-09-05 | | Release date: | 2013-09-18 | | Identifier: | 2,4,6-trimethylbenzenesulfonamide |
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 | | N6A | | Name: | N-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N-methylbenzenesulfonamide | | Formula: | C18 H18 N4 O4 S | | SMILES: | O=S(=O)(c1ccccc1)N(C2=C(N)N(C(=O)NC2=O)Cc3ccccc3)C | | InChi: | InChI=1S/C18H18N4O4S/c1-21(27(25,26)14-10-6-3-7-11-14)15-16(19)22(18(24)20-17(15)23)12-13-8-4-2-5-9-13/h2-11H,12,19H2,1H3,(H,20,23,24) | | Definition date: | 2012-05-01 | | Last modified: | 2014-09-05 | | Release date: | 2012-10-26 | | Identifier: | N-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N-methylbenzenesulfonamide |
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 | | 4K0 | | Name: | 4-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]benzenecarbonitrile | | Formula: | C19 H12 N8 | | SMILES: | N#Cc5ccc(c1nn2c(nnc2nc1)Cc4c3cccnc3nc4)cc5 | | InChi: | InChI=1S/C19H12N8/c20-9-12-3-5-13(6-4-12)16-11-23-19-25-24-17(27(19)26-16)8-14-10-22-18-15(14)2-1-7-21-18/h1-7,10-11H,8H2,(H,21,22) | | Definition date: | 2012-03-27 | | Last modified: | 2014-09-05 | | Release date: | 2012-09-21 | | Identifier: | 4-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]benzonitrile |
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 | | 3I6 | | Name: | 4-((5-BROMO-4-(PROP-2-YN-1-YLAMINO)PYRIMIDIN-2-YL)AMINO)BENZENESULFONAMIDE | | Formula: | C13 H16 Br N5 O3 S | | SMILES: | O=S(=O)(N)c1ccc(cc1)Nc2nc(c(Br)cn2)NC(C)CO | | InChi: | InChI=1S/C13H16BrN5O3S/c1-8(7-20)17-12-11(14)6-16-13(19-12)18-9-2-4-10(5-3-9)23(15,21)22/h2-6,8,20H,7H2,1H3,(H2,15,21,22)(H2,16,17,18,19)/t8-/m1/s1 | | Definition date: | 2013-03-26 | | Last modified: | 2014-09-05 | | Release date: | 2013-09-04 | | Identifier: | 4-[(5-bromo-4-{[(2R)-1-hydroxypropan-2-yl]amino}pyrimidin-2-yl)amino]benzenesulfonamide |
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 | | 6XS | | Name: | 5-Chloro-thiophene-2-carboxylic acid [(S)-2-[2-chloro-5-fluoro-3-(2-oxo-piperidin-1-yl)-benzenesulfonylamino]-3-(4-methyl-piperazin-1-yl)-3-oxo-propyl]-amide | | Formula: | C24 H28 Cl2 F N5 O5 S2 | | SMILES: | O=C(NCC(C(=O)N1CCN(C)CC1)NS(=O)(=O)c3cc(F)cc(N2C(=O)CCCC2)c3Cl)c4sc(Cl)cc4 | | InChi: | InChI=1S/C24H28Cl2FN5O5S2/c1-30-8-10-31(11-9-30)24(35)16(14-28-23(34)18-5-6-20(25)38-18)29-39(36,37)19-13-15(27)12-17(22(19)26)32-7-3-2-4-21(32)33/h5-6,12-13,16,29H,2-4,7-11,14H2,1H3,(H,28,34)/t16-/m0/s1 | | Definition date: | 2013-06-19 | | Last modified: | 2014-09-05 | | Release date: | 2013-12-18 | | Identifier: | 5-chloro-N-[(2S)-2-({[2-chloro-5-fluoro-3-(2-oxopiperidin-1-yl)phenyl]sulfonyl}amino)-3-(4-methylpiperazin-1-yl)-3-oxopropyl]thiophene-2-carboxamide |
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 | | ODO | | Name: | 4-[(E)-C-methyl-N-oxidanyl-carbonimidoyl]benzene-1,3-diol | | Formula: | C8 H9 N O3 | | SMILES: | N(/O)=C(c1ccc(O)cc1O)C | | InChi: | InChI=1S/C8H9NO3/c1-5(9-12)7-3-2-6(10)4-8(7)11/h2-4,10-12H,1H3/b9-5+ | | Definition date: | 2012-10-05 | | Last modified: | 2014-09-05 | | Release date: | 2013-06-26 | | Identifier: | 4-[(1E)-N-hydroxyethanimidoyl]benzene-1,3-diol |
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 | | P2F | | Name: | 5-[1,1-bis(oxidanylidene)-1,2-thiazinan-2-yl]-N3-[(2S,3R)-4-[2-(3-methoxyphenyl)propan-2-ylamino]-3-oxidanyl-1-phenyl-butan-2-yl]-N1,N1-dipropyl-benzene-1,3-dicarboxamide | | Formula: | C38 H52 N4 O6 S | | SMILES: | O=S4(=O)N(c3cc(C(=O)NC(Cc1ccccc1)C(O)CNC(c2cccc(OC)c2)(C)C)cc(C(=O)N(CCC)CCC)c3)CCCC4 | | InChi: | InChI=1S/C38H52N4O6S/c1-6-18-41(19-7-2)37(45)30-23-29(24-32(25-30)42-20-11-12-21-49(42,46)47)36(44)40-34(22-28-14-9-8-10-15-28)35(43)27-39-38(3,4)31-16-13-17-33(26-31)48-5/h8-10,13-17,23-26,34-35,39,43H,6-7,11-12,18-22,27H2,1-5H3,(H,40,44)/t34-,35+/m0/s1 | | Definition date: | 2014-01-08 | | Last modified: | 2014-09-05 | | Release date: | 2014-06-18 | | Identifier: | 5-(1,1-dioxido-1,2-thiazinan-2-yl)-N'-[(2S,3R)-3-hydroxy-4-{[2-(3-methoxyphenyl)propan-2-yl]amino}-1-phenylbutan-2-yl]-N,N-dipropylbenzene-1,3-dicarboxamide |
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 | | AQ2 | | Name: | N-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-4-[2-(1-methylethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide | | Formula: | C21 H25 N3 O4 S2 | | SMILES: | O=S4(=O)CCC(NS(=O)(=O)c3ccc(c2ccnc1nc(cc12)C(C)C)cc3)CC4 | | InChi: | InChI=1S/C21H25N3O4S2/c1-14(2)20-13-19-18(7-10-22-21(19)23-20)15-3-5-17(6-4-15)30(27,28)24-16-8-11-29(25,26)12-9-16/h3-7,10,13-14,16,24H,8-9,11-12H2,1-2H3,(H,22,23) | | Definition date: | 2012-06-03 | | Last modified: | 2014-09-05 | | Release date: | 2013-05-01 | | Identifier: | N-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-4-[2-(propan-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzenesulfonamide |
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 | | P9M | | Name: | N-cyclopentyl-5-(3,5-dimethylisoxazol-4-yl)-2-methylbenzenesulfonamide | | Formula: | C17 H22 N2 O3 S | | SMILES: | O=S(=O)(c2cc(c1c(onc1C)C)ccc2C)NC3CCCC3 | | InChi: | InChI=1S/C17H22N2O3S/c1-11-8-9-14(17-12(2)18-22-13(17)3)10-16(11)23(20,21)19-15-6-4-5-7-15/h8-10,15,19H,4-7H2,1-3H3 | | Definition date: | 2011-11-26 | | Last modified: | 2014-09-05 | | Identifier: | N-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzenesulfonamide |
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 | | 7R9 | | Name: | 5-Chloro-thiophene-2-carboxylic acid [(S)-2-[2-difluoromethoxy-3-(2-oxo-piperidin-1-yl)-benzenesulfonylamino]-3-((S)-3-dimethylamino-pyrrolidin-1-yl)-3-oxo-propyl]-amide | | Formula: | C26 H32 Cl F2 N5 O6 S2 | | SMILES: | O=C(NCC(C(=O)N1CCC(N(C)C)C1)NS(=O)(=O)c3cccc(N2C(=O)CCCC2)c3OC(F)F)c4sc(Cl)cc4 | | InChi: | InChI=1S/C26H32ClF2N5O6S2/c1-32(2)16-11-13-33(15-16)25(37)17(14-30-24(36)19-9-10-21(27)41-19)31-42(38,39)20-7-5-6-18(23(20)40-26(28)29)34-12-4-3-8-22(34)35/h5-7,9-10,16-17,26,31H,3-4,8,11-15H2,1-2H3,(H,30,36)/t16-,17-/m0/s1 | | Definition date: | 2013-06-18 | | Last modified: | 2014-09-05 | | Release date: | 2013-12-25 | | Identifier: | 5-chloro-N-{(2S)-2-({[2-(difluoromethoxy)-3-(2-oxopiperidin-1-yl)phenyl]sulfonyl}amino)-3-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-oxopropyl}thiophene-2-carboxamide |
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 | | 27F | | Name: | 4-(4-OXO-1,4-DIHYDROQUINAZOLIN-2-YL)BENZONITRILE | | Formula: | C15 H9 N3 O | | SMILES: | N#Cc3ccc(C2=Nc1c(cccc1)C(=O)N2)cc3 | | InChi: | InChI=1S/C15H9N3O/c16-9-10-5-7-11(8-6-10)14-17-13-4-2-1-3-12(13)15(19)18-14/h1-8H,(H,17,18,19) | | Definition date: | 2013-06-20 | | Last modified: | 2014-09-05 | | Release date: | 2013-10-30 | | Identifier: | 4-(4-oxo-3,4-dihydroquinazolin-2-yl)benzonitrile |
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 | | BU6 | | Name: | 5-chloro-2-fluoro-N-[1-(4-piperidyl)pyrazol-4-yl]benzenesulfonamide | | Formula: | C14 H16 Cl F N4 O2 S | | SMILES: | Clc1cc(c(F)cc1)S(=O)(=O)Nc2cn(nc2)C3CCNCC3 | | InChi: | InChI=1S/C14H16ClFN4O2S/c15-10-1-2-13(16)14(7-10)23(21,22)19-11-8-18-20(9-11)12-3-5-17-6-4-12/h1-2,7-9,12,17,19H,3-6H2 | | Definition date: | 2013-06-25 | | Last modified: | 2014-09-05 | | Release date: | 2014-07-16 | | Identifier: | 5-chloro-2-fluoro-N-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]benzenesulfonamide |
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 | | 2CD | | Name: | 3,5-DICHLORO-3'-[(DIETHYLAMINO)METHYL]-N-(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)BIPHENYL-4-SULFONAMIDE | | Formula: | C23 H28 Cl2 N4 O2 S | | SMILES: | Clc2cc(c1cccc(c1)CN(CC)CC)cc(Cl)c2S(=O)(=O)Nc3c(n(nc3C)C)C | | InChi: | InChI=1S/C23H28Cl2N4O2S/c1-6-29(7-2)14-17-9-8-10-18(11-17)19-12-20(24)23(21(25)13-19)32(30,31)27-22-15(3)26-28(5)16(22)4/h8-13,27H,6-7,14H2,1-5H3 | | Definition date: | 2011-09-29 | | Last modified: | 2014-09-05 | | Identifier: | 3,5-dichloro-3'-[(diethylamino)methyl]-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)biphenyl-4-sulfonamide |
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 | | PS8 | | Name: | 2,6-DICHLORO-4-(6-PIPERAZIN-1-YLPYRIDIN-3-YL)-N-(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)BENZENESULFONAMIDE | | Formula: | C21 H24 Cl2 N6 O2 S | | SMILES: | Clc3cc(c1ccc(nc1)N2CCNCC2)cc(Cl)c3S(=O)(=O)Nc4c(n(nc4C)C)C | | InChi: | InChI=1S/C21H24Cl2N6O2S/c1-13-20(14(2)28(3)26-13)27-32(30,31)21-17(22)10-16(11-18(21)23)15-4-5-19(25-12-15)29-8-6-24-7-9-29/h4-5,10-12,24,27H,6-9H2,1-3H3 | | Definition date: | 2011-09-29 | | Last modified: | 2014-09-05 | | Identifier: | 2,6-dichloro-4-[6-(piperazin-1-yl)pyridin-3-yl]-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide |
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 | | QMI | | Name: | 4-BROMO-2,6-DICHLORO-N-(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)BENZENESULFONAMIDE | | Formula: | C12 H12 Br Cl2 N3 O2 S | | SMILES: | Clc1cc(Br)cc(Cl)c1S(=O)(=O)Nc2c(n(nc2C)C)C | | InChi: | InChI=1S/C12H12BrCl2N3O2S/c1-6-11(7(2)18(3)16-6)17-21(19,20)12-9(14)4-8(13)5-10(12)15/h4-5,17H,1-3H3 | | Definition date: | 2011-09-29 | | Last modified: | 2014-09-05 | | Identifier: | 4-bromo-2,6-dichloro-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide |
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 | | 27G | | Name: | benzyl butyl benzene-1,2-dicarboxylate | | Formula: | C19 H20 O4 | | SMILES: | O=C(OCc1ccccc1)c2ccccc2C(=O)OCCCC | | InChi: | InChI=1S/C19H20O4/c1-2-3-13-22-18(20)16-11-7-8-12-17(16)19(21)23-14-15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3 | | Definition date: | 2013-09-05 | | Last modified: | 2014-08-29 | | Release date: | 2014-09-03 | | Identifier: | benzyl butyl benzene-1,2-dicarboxylate |
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 | | I5U | | Name: | N',N'-{[(2R)-3-aminopropane-1,2-diyl]bis(oxymethanediylbenzene-3,1-diyl)}dithiophene-2-carboximidamide | | Formula: | C27 H29 N5 O2 S2 | | SMILES: | N(/c1cc(ccc1)COC(CN)COCc3cccc(NC(=[N@H])c2sccc2)c3)=C(N)c4sccc4 | | InChi: | InChI=1S/C27H29N5O2S2/c28-15-23(34-17-20-6-2-8-22(14-20)32-27(30)25-10-4-12-36-25)18-33-16-19-5-1-7-21(13-19)31-26(29)24-9-3-11-35-24/h1-14,23H,15-18,28H2,(H2,29,31)(H2,30,32)/t23-/m1/s1 | | Definition date: | 2014-06-17 | | Last modified: | 2014-08-15 | | Release date: | 2014-08-20 | | Identifier: | N',N'-{[(2R)-3-aminopropane-1,2-diyl]bis(oxymethanediylbenzene-3,1-diyl)}dithiophene-2-carboximidamide |
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