 | | CWZ | | Name: | N-[[3-[3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-ylmethyl)phenyl]phenyl]methyl]-2-pyridin-3-yl-ethanamine | | Formula: | C27 H28 N4 S | | SMILES: | n1c2c(sc1)CN(CC2)Cc5cccc(c3cccc(c3)CNCCc4cccnc4)c5 | | InChi: | InChI=1S/C27H28N4S/c1-4-22(17-29-12-9-21-6-3-11-28-16-21)14-24(7-1)25-8-2-5-23(15-25)18-31-13-10-26-27(19-31)32-20-30-26/h1-8,11,14-16,20,29H,9-10,12-13,17-19H2 | | Definition date: | 2013-11-25 | | Last modified: | 2014-09-05 | | Release date: | 2014-07-08 | | Identifier: | N-{[3'-(6,7-dihydro[1,3]thiazolo[5,4-c]pyridin-5(4H)-ylmethyl)biphenyl-3-yl]methyl}-2-(pyridin-3-yl)ethanamine |
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 | | CXD | | Name: | 4-chloranyl-N-[[4-chloranyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-1H-imidazole-5-carboxamide | | Formula: | C18 H10 Cl3 F N4 O2 | | SMILES: | O=C(NCc2ccc(Cl)c(Oc1cc(C#N)cc(Cl)c1)c2F)c3c(Cl)ncn3 | | InChi: | InChI=1S/C18H10Cl3FN4O2/c19-11-3-9(6-23)4-12(5-11)28-16-13(20)2-1-10(14(16)22)7-24-18(27)15-17(21)26-8-25-15/h1-5,8H,7H2,(H,24,27)(H,25,26) | | Definition date: | 2012-10-15 | | Last modified: | 2014-09-05 | | Release date: | 2013-01-04 | | Identifier: | 4-chloro-N-[4-chloro-3-(3-chloro-5-cyanophenoxy)-2-fluorobenzyl]-1H-imidazole-5-carboxamide |
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 | | D1A | | Name: | N-[4-[(E)-N-carbamimidamido-C-methyl-carbonimidoyl]phenyl]-7-nitro-1H-indole-2-carboxamide | | Formula: | C18 H17 N7 O3 | | SMILES: | [O-][N+](=O)c1cccc2c1nc(c2)C(=O)Nc3ccc(C(=NNC(=[N@H])N)C)cc3 | | InChi: | InChI=1S/C18H17N7O3/c1-10(23-24-18(19)20)11-5-7-13(8-6-11)21-17(26)14-9-12-3-2-4-15(25(27)28)16(12)22-14/h2-9,22H,1H3,(H,21,26)(H4,19,20,24)/b23-10+ | | Definition date: | 2009-01-06 | | Last modified: | 2014-09-05 | | Identifier: | N-{4-[(1E)-1-(2-carbamimidoylhydrazinylidene)ethyl]phenyl}-7-nitro-1H-indole-2-carboxamide |
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 | | E41 | | Name: | N-hydroxy-N^2^-(3-methylbutyl)-N^2^-(naphthalen-2-ylsulfonyl)-D-valinamide | | Formula: | C20 H28 N2 O4 S | | SMILES: | O=C(NO)C(N(CCC(C)C)S(=O)(=O)c2ccc1c(cccc1)c2)C(C)C | | InChi: | InChI=1S/C20H28N2O4S/c1-14(2)11-12-22(19(15(3)4)20(23)21-24)27(25,26)18-10-9-16-7-5-6-8-17(16)13-18/h5-10,13-15,19,24H,11-12H2,1-4H3,(H,21,23)/t19-/m1/s1 | | Definition date: | 2011-08-10 | | Last modified: | 2014-09-05 | | Identifier: | N-hydroxy-N~2~-(3-methylbutyl)-N~2~-(naphthalen-2-ylsulfonyl)-D-valinamide |
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 | | E46 | | Name: | N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethyloxy)phenyl]-[1,2,3]triazolo[4,5-b]pyridin-5-amine | | Formula: | C18 H19 F3 N6 O | | SMILES: | FC(F)(F)Oc1cccc(c1)n3nnc2ccc(nc23)NCC4CCNCC4 | | InChi: | InChI=1S/C18H19F3N6O/c19-18(20,21)28-14-3-1-2-13(10-14)27-17-15(25-26-27)4-5-16(24-17)23-11-12-6-8-22-9-7-12/h1-5,10,12,22H,6-9,11H2,(H,23,24) | | Definition date: | 2011-11-12 | | Last modified: | 2014-09-05 | | Identifier: | N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine |
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 | | E4F | | Name: | 5-[[(1R,2S)-2-(5-azanylpentanoylamino)-2,3-dihydro-1H-inden-1-yl]methyl]-1,3-benzodioxole-4-carboxylic acid | | Formula: | C23 H26 N2 O5 | | SMILES: | O=C(NC2Cc1ccccc1C2Cc3ccc4OCOc4c3C(=O)O)CCCCN | | InChi: | InChI=1S/C23H26N2O5/c24-10-4-3-7-20(26)25-18-12-14-5-1-2-6-16(14)17(18)11-15-8-9-19-22(30-13-29-19)21(15)23(27)28/h1-2,5-6,8-9,17-18H,3-4,7,10-13,24H2,(H,25,26)(H,27,28)/t17-,18+/m1/s1 | | Definition date: | 2013-12-19 | | Last modified: | 2014-09-05 | | Release date: | 2014-01-08 | | Identifier: | 5-({(1R,2S)-2-[(5-aminopentanoyl)amino]-2,3-dihydro-1H-inden-1-yl}methyl)-1,3-benzodioxole-4-carboxylic acid |
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 | | G0T | | Name: | (2S)-2-(3-hydroxy-3-oxopropyl)-6-[[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl-methyl-amino]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid | | Formula: | C30 H32 N2 O8 | | SMILES: | O=C(NCc1ccc(OC)cc1)c2ccccc2CN(C)Cc4ccc3OC(COc3c4C(=O)O)CCC(=O)O | | InChi: | InChI=1S/C30H32N2O8/c1-32(16-20-5-3-4-6-24(20)29(35)31-15-19-7-10-22(38-2)11-8-19)17-21-9-13-25-28(27(21)30(36)37)39-18-23(40-25)12-14-26(33)34/h3-11,13,23H,12,14-18H2,1-2H3,(H,31,35)(H,33,34)(H,36,37)/t23-/m0/s1 | | Definition date: | 2013-11-13 | | Last modified: | 2014-09-05 | | Release date: | 2013-11-20 | | Identifier: | (2S)-2-(2-carboxyethyl)-6-{[{2-[(4-methoxybenzyl)carbamoyl]benzyl}(methyl)amino]methyl}-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid |
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 | | G18 | | Name: | 4H-thieno[2,3-c]isoquinolin-5-one | | Formula: | C11 H7 N O S | | SMILES: | O=C2c3c(c1c(scc1)N2)cccc3 | | InChi: | InChI=1S/C11H7NOS/c13-10-8-4-2-1-3-7(8)9-5-6-14-11(9)12-10/h1-6H,(H,12,13) | | Definition date: | 2012-05-29 | | Last modified: | 2014-09-05 | | Identifier: | thieno[2,3-c]isoquinolin-5(4H)-one |
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 | | G82 | | Name: | ETHYL (5S,8S,11R)-8-BENZYL-5-(3-TERT-BUTOXY-3-OXOPROPYL)-3,6,9-TRIOXO-11-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}-1-PHENYL-2-OXA-4,7,10-TRIAZATETRADECAN-14-OATE | | Formula: | C37 H50 N4 O9 | | SMILES: | O=C(OC(C)(C)C)CCC(NC(=O)OCc1ccccc1)C(=O)NC(C(=O)NC(CC2C(=O)NCC2)CCC(=O)OCC)Cc3ccccc3 | | InChi: | InChI=1S/C37H50N4O9/c1-5-48-31(42)18-16-28(23-27-20-21-38-33(27)44)39-35(46)30(22-25-12-8-6-9-13-25)40-34(45)29(17-19-32(43)50-37(2,3)4)41-36(47)49-24-26-14-10-7-11-15-26/h6-15,27-30H,5,16-24H2,1-4H3,(H,38,44)(H,39,46)(H,40,45)(H,41,47)/t27-,28+,29-,30-/m0/s1 | | Definition date: | 2011-07-24 | | Last modified: | 2014-09-05 | | Identifier: | ethyl (5S,8S,11R)-8-benzyl-5-(3-tert-butoxy-3-oxopropyl)-3,6,9-trioxo-11-{[(3S)-2-oxopyrrolidin-3-yl]methyl}-1-phenyl-2-oxa-4,7,10-triazatetradecan-14-oate (non-preferred name) |
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 | | G83 | | Name: | ETHYL (5S,8S,11R)-8-BENZYL-5-(2-TERT-BUTOXY-2-OXOETHYL)-3,6,9-TRIOXO-11-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}-1-PHENYL-2-OXA-4,7,10-TRIAZATETRADECAN-14-OATE | | Formula: | C36 H48 N4 O9 | | SMILES: | O=C(OC(C)(C)C)CC(NC(=O)OCc1ccccc1)C(=O)NC(C(=O)NC(CC2C(=O)NCC2)CCC(=O)OCC)Cc3ccccc3 | | InChi: | InChI=1S/C36H48N4O9/c1-5-47-30(41)17-16-27(21-26-18-19-37-32(26)43)38-33(44)28(20-24-12-8-6-9-13-24)39-34(45)29(22-31(42)49-36(2,3)4)40-35(46)48-23-25-14-10-7-11-15-25/h6-15,26-29H,5,16-23H2,1-4H3,(H,37,43)(H,38,44)(H,39,45)(H,40,46)/t26-,27+,28-,29-/m0/s1 | | Definition date: | 2011-07-24 | | Last modified: | 2014-09-05 | | Identifier: | ethyl (5S,8S,11R)-8-benzyl-5-(2-tert-butoxy-2-oxoethyl)-3,6,9-trioxo-11-{[(3S)-2-oxopyrrolidin-3-yl]methyl}-1-phenyl-2-oxa-4,7,10-triazatetradecan-14-oate (non-preferred name) |
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 | | GDI | | Name: | (2S)-N-[(2S)-1-AZANYLIDENE-3-[4-(4-CYANOPHENYL)PHENYL]PROPAN-2-YL]PIPERIDINE-2-CARBOXAMIDE | | Formula: | C22 H24 N4 O | | SMILES: | O=C(NC(C=[N@H])Cc2ccc(c1ccc(C#N)cc1)cc2)C3NCCCC3 | | InChi: | InChI=1S/C22H24N4O/c23-14-17-6-10-19(11-7-17)18-8-4-16(5-9-18)13-20(15-24)26-22(27)21-3-1-2-12-25-21/h4-11,15,20-21,24-25H,1-3,12-13H2,(H,26,27)/b24-15+/t20-,21-/m0/s1 | | Definition date: | 2013-10-31 | | Last modified: | 2014-09-05 | | Release date: | 2014-03-19 | | Identifier: | (2S)-N-[(2S,3E)-1-(4'-cyanobiphenyl-4-yl)-3-iminopropan-2-yl]piperidine-2-carboxamide |
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 | | GFB | | Name: | GUANOSINE-5'-DIPHOSPHATE-BETA-L-FUCOPYRANOSE | | Formula: | C16 H25 N5 O15 P2 | | SMILES: | O=C4NC(=Nc1c4ncn1C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C(O)C(O)C3O)C)O)O)N | | InChi: | InChI=1S/C16H25N5O15P2/c1-4-7(22)9(24)11(26)15(33-4)35-38(30,31)36-37(28,29)32-2-5-8(23)10(25)14(34-5)21-3-18-6-12(21)19-16(17)20-13(6)27/h3-5,7-11,14-15,22-26H,2H2,1H3,(H,28,29)(H,30,31)(H3,17,19,20,27)/t4-,5+,7+,8+,9+,10+,11-,14+,15+/m0/s1 | | Definition date: | 2011-08-17 | | Last modified: | 2014-09-05 | | Identifier: | [(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name) |
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 | | GHE | | Name: | (2R)-1-[6-[(2R)-2-carboxypyrrolidin-1-yl]-6-oxidanylidene-hexanoyl]pyrrolidine-2-carboxylic acid | | Formula: | C16 H24 N2 O6 | | SMILES: | O=C(N1C(C(=O)O)CCC1)CCCCC(=O)N2C(C(=O)O)CCC2 | | InChi: | InChI=1S/C16H24N2O6/c19-13(17-9-3-5-11(17)15(21)22)7-1-2-8-14(20)18-10-4-6-12(18)16(23)24/h11-12H,1-10H2,(H,21,22)(H,23,24)/t11-,12-/m1/s1 | | Definition date: | 2012-05-29 | | Last modified: | 2014-09-05 | | Release date: | 2013-06-19 | | Identifier: | (2R,2'R)-1,1'-(1,6-dioxohexane-1,6-diyl)dipyrrolidine-2-carboxylic acid (non-preferred name) |
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 | | GMF | | Name: | 2-[[3-(3-methoxyphenyl)phenyl]-(4-pyridyl)methyl]guanidine | | Formula: | C20 H20 N4 O | | SMILES: | O(c1cccc(c1)c2cccc(c2)C(NC(=[N@H])N)c3ccncc3)C | | InChi: | InChI=1S/C20H20N4O/c1-25-18-7-3-5-16(13-18)15-4-2-6-17(12-15)19(24-20(21)22)14-8-10-23-11-9-14/h2-13,19H,1H3,(H4,21,22,24)/t19-/m1/s1 | | Definition date: | 2012-07-04 | | Last modified: | 2014-09-05 | | Release date: | 2013-07-24 | | Identifier: | 1-[(S)-(3'-methoxybiphenyl-3-yl)(pyridin-4-yl)methyl]guanidine |
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 | | GMK | | Name: | (3-Deoxy-3-(3-methoxy-benzamido)-b-D-galactopyranosyl)-(3-deoxy-3-(3-methoxy-benzamido)-2-O-sulfo-b-D-galactopyranosyl)-sulfide | | Formula: | C28 H36 N2 O15 S2 | | SMILES: | O=S(=O)(O)OC4C(NC(=O)c1cccc(OC)c1)C(O)C(OC4SC3OC(CO)C(O)C(NC(=O)c2cccc(OC)c2)C3O)CO | | InChi: | InChI=1S/C28H36N2O15S2/c1-41-15-7-3-5-13(9-15)25(36)29-19-21(33)17(11-31)43-27(23(19)35)46-28-24(45-47(38,39)40)20(22(34)18(12-32)44-28)30-26(37)14-6-4-8-16(10-14)42-2/h3-10,17-24,27-28,31-35H,11-12H2,1-2H3,(H,29,36)(H,30,37)(H,38,39,40)/t17-,18-,19+,20+,21+,22+,23-,24-,27+,28+/m1/s1 | | Definition date: | 2013-05-03 | | Last modified: | 2014-09-05 | | Release date: | 2014-05-21 | | Identifier: | 3-deoxy-3-[(3-methoxybenzoyl)amino]-beta-D-galactopyranosyl 3-deoxy-3-[(3-methoxybenzoyl)amino]-2-O-sulfo-1-thio-beta-D-galactopyranoside |
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 | | GMV | | Name: | GUANOSINE-5'-PHOSPHOVANADATE | | Formula: | C10 H17 N5 O12 P V | | SMILES: | O=P(O[V](O)(O)(O)O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O | | InChi: | InChI=1S/C10H14N5O8P.4H2O.V/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21 | | Definition date: | 2013-06-04 | | Last modified: | 2014-09-05 | | Release date: | 2013-07-17 | | Identifier: | vanadium(5+) hydroxide 5'-O-[(R)-hydroxyphosphinato]guanosine (1:4:1) |
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 | | 8DQ | | Name: | 8-phenyl-2-piperazin-1-yl-chromen-4-one | | Formula: | C19 H18 N2 O2 | | SMILES: | O=C1c3c(OC(=C1)N2CCNCC2)c(ccc3)c4ccccc4 | | InChi: | InChI=1S/C19H18N2O2/c22-17-13-18(21-11-9-20-10-12-21)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13,20H,9-12H2 | | Definition date: | 2013-11-19 | | Last modified: | 2014-09-05 | | Release date: | 2014-01-15 | | Identifier: | 8-phenyl-2-(piperazin-1-yl)-4H-chromen-4-one |
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 | | 8HQ | | Name: | 8-hydroxyquinoline-4-carboxylic acid | | Formula: | C10 H7 N O3 | | SMILES: | O=C(O)c1c2cccc(O)c2ncc1 | | InChi: | InChI=1S/C10H7NO3/c12-8-3-1-2-6-7(10(13)14)4-5-11-9(6)8/h1-5,12H,(H,13,14) | | Definition date: | 2013-04-12 | | Last modified: | 2014-09-05 | | Release date: | 2014-02-05 | | Identifier: | 8-hydroxyquinoline-4-carboxylic acid |
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 | | 8M5 | | Name: | 1-methyl-N-phenyl-indole-3-carboxamide | | Formula: | C16 H14 N2 O | | SMILES: | O=C(c2c1ccccc1n(c2)C)Nc3ccccc3 | | InChi: | InChI=1S/C16H14N2O/c1-18-11-14(13-9-5-6-10-15(13)18)16(19)17-12-7-3-2-4-8-12/h2-11H,1H3,(H,17,19) | | Definition date: | 2013-05-17 | | Last modified: | 2014-09-05 | | Release date: | 2013-09-18 | | Identifier: | 1-methyl-N-phenyl-1H-indole-3-carboxamide |
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 | | GSY | | Name: | 7-(2-HYDROXYETHYL)-8-MERCAPTOGUANINE | | Formula: | C7 H9 N5 O2 S | | SMILES: | O=C1c2c(N=C(N1)N)nc(S)n2CCO | | InChi: | InChI=1S/C7H9N5O2S/c8-6-9-4-3(5(14)11-6)12(1-2-13)7(15)10-4/h13H,1-2H2,(H4,8,9,10,11,14,15) | | Definition date: | 2011-12-22 | | Last modified: | 2014-09-05 | | Release date: | 2013-01-11 | | Identifier: | 2-amino-7-(2-hydroxyethyl)-8-sulfanyl-1,7-dihydro-6H-purin-6-one |
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 | | H0Y | | Name: | 6-[(8E)-8-(1,3-benzothiazol-2-ylhydrazinylidene)-6,7-dihydro-5H-naphthalen-2-yl]pyridine-2-carboxylic acid | | Formula: | C23 H18 N4 O2 S | | SMILES: | O=C(O)c1nc(ccc1)c2ccc5c(c2)/C(=N/Nc3nc4ccccc4s3)CCC5 | | InChi: | InChI=1S/C23H18N4O2S/c28-22(29)20-9-4-7-17(24-20)15-12-11-14-5-3-8-18(16(14)13-15)26-27-23-25-19-6-1-2-10-21(19)30-23/h1-2,4,6-7,9-13H,3,5,8H2,(H,25,27)(H,28,29)/b26-18+ | | Definition date: | 2013-02-04 | | Last modified: | 2014-09-05 | | Release date: | 2013-04-24 | | Identifier: | 6-{(8E)-8-[2-(1,3-benzothiazol-2-yl)hydrazinylidene]-5,6,7,8-tetrahydronaphthalen-2-yl}pyridine-2-carboxylic acid |
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 | | H1I | | Name: | N-(3-(5-(1-(2-(benzo[d]thiazol-2-yl)hydrazono)ethyl)furan-2-yl)phenylsulfonyl)-6-phenylhexanamide | | Formula: | C31 H30 N4 O4 S2 | | SMILES: | O=C(NS(=O)(=O)c1cccc(c1)c2oc(cc2)/C(=N/Nc3nc4ccccc4s3)C)CCCCCc5ccccc5 | | InChi: | InChI=1S/C31H30N4O4S2/c1-22(33-34-31-32-26-16-8-9-17-29(26)40-31)27-19-20-28(39-27)24-14-10-15-25(21-24)41(37,38)35-30(36)18-7-3-6-13-23-11-4-2-5-12-23/h2,4-5,8-12,14-17,19-21H,3,6-7,13,18H2,1H3,(H,32,34)(H,35,36)/b33-22+ | | Definition date: | 2013-01-22 | | Last modified: | 2014-09-05 | | Release date: | 2013-04-24 | | Identifier: | N-{[3-(5-{(1E)-1-[2-(1,3-benzothiazol-2-yl)hydrazinylidene]ethyl}furan-2-yl)phenyl]sulfonyl}-6-phenylhexanamide |
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 | | AE8 | | Name: | (S)-4-((4-(((2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)methyl)amino)piperidin-1-yl)methyl)-3-fluoro-4-hydroxy-4H-pyrrolo[3,2,1-de][1,5]naphthyridin-7(5H)-one | | Formula: | C24 H26 F N5 O4 | | SMILES: | Fc1c3c2c(nc1)C=CC(=O)N2CC3(O)CN6CCC(NCc5ncc4OCCOc4c5)CC6 | | InChi: | InChI=1S/C24H26FN5O4/c25-17-11-28-18-1-2-21(31)30-14-24(32,22(17)23(18)30)13-29-5-3-15(4-6-29)26-10-16-9-19-20(12-27-16)34-8-7-33-19/h1-2,9,11-12,15,26,32H,3-8,10,13-14H2/t24-/m0/s1 | | Definition date: | 2013-06-20 | | Last modified: | 2014-09-05 | | Release date: | 2013-08-07 | | Identifier: | (4S)-4-({4-[(2,3-dihydro[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)amino]piperidin-1-yl}methyl)-3-fluoro-4-hydroxy-4,5-dihydro-7H-pyrrolo[3,2,1-de][1,5]naphthyridin-7-one |
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 | | AKH | | Name: | 1-BENZOFURAN-7-CARBOXYLIC ACID | | Formula: | C9 H6 O3 | | SMILES: | O=C(O)c2cccc1c2occ1 | | InChi: | InChI=1S/C9H6O3/c10-9(11)7-3-1-2-6-4-5-12-8(6)7/h1-5H,(H,10,11) | | Definition date: | 2012-02-07 | | Last modified: | 2014-09-05 | | Identifier: | 1-benzofuran-7-carboxylic acid |
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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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