 | | S6Q | | Name: | ~{N}-(phenylmethyl)-2-[1-(phenylsulfonyl)indol-4-yl]oxy-ethanamine | | Formula: | C23 H22 N2 O3 S | | SMILES: | O=[S](=O)(n1ccc2c(OCCNCc3ccccc3)cccc12)c4ccccc4 | | InChi: | InChI=1S/C23H22N2O3S/c26-29(27,20-10-5-2-6-11-20)25-16-14-21-22(25)12-7-13-23(21)28-17-15-24-18-19-8-3-1-4-9-19/h1-14,16,24H,15,17-18H2 | | Definition date: | 2020-11-10 | | Last modified: | 2021-09-24 | | Release date: | 2021-09-29 | | Identifier: | ~{N}-(phenylmethyl)-2-[1-(phenylsulfonyl)indol-4-yl]oxy-ethanamine |
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 | | SLW | | Name: | 4-chloranyl-N-[(1R)-1-[(1S,5R)-3-quinolin-4-yloxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide | | Formula: | C25 H25 Cl N2 O2 | | SMILES: | CC[CH](NC(=O)c1ccc(Cl)cc1)[CH]2[CH]3C[CH](C[CH]23)Oc4ccnc5ccccc45 | | InChi: | InChI=1S/C25H25ClN2O2/c1-2-21(28-25(29)15-7-9-16(26)10-8-15)24-19-13-17(14-20(19)24)30-23-11-12-27-22-6-4-3-5-18(22)23/h3-12,17,19-21,24H,2,13-14H2,1H3,(H,28,29)/t17-,19-,20+,21-,24+/m1/s1 | | Synonyms: | 4-chloranyl-~{N}-[(1~{R})-1-[(1~{S},5~{R})-3-quinolin-4-yloxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide | | Definition date: | 2020-11-25 | | Last modified: | 2021-09-24 | | Release date: | 2021-09-29 | | Identifier: | 4-chloranyl-~{N}-[(1~{R})-1-[(1~{S},5~{R})-3-quinolin-4-yloxy-6-bicyclo[3.1.0]hexanyl]propyl]benzamide |
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 | | W9G | | Name: | (1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-[(9-methoxynonyl)amino]cyclohexane-1,2,3,4-tetrol | | Formula: | C17 H35 N O6 | | SMILES: | N(C1CC(C(C(C1O)O)O)(O)CO)CCCCCCCCCOC | | InChi: | InChI=1S/C17H35NO6/c1-24-10-8-6-4-2-3-5-7-9-18-13-11-17(23,12-19)16(22)15(21)14(13)20/h13-16,18-23H,2-12H2,1H3/t13-,14-,15+,16-,17-/m0/s1 | | Definition date: | 2020-10-02 | | Last modified: | 2021-09-24 | | Release date: | 2021-09-29 | | Identifier: | (1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-[(9-methoxynonyl)amino]cyclohexane-1,2,3,4-tetrol |
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 | | W9P | | Name: | (1~{S},2~{S},3~{R},4~{S},5~{S})-1-(hydroxymethyl)-5-[6-[[2-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]-4-(1,2,3,4-tetrazol-1-yl)phenyl]amino]hexylamino]cyclohexane-1,2,3,4-tetrol | | Formula: | C20 H31 N7 O7 | | SMILES: | N(C1C(O)C(C(C(C1)(CO)O)O)O)CCCCCCNc2ccc(cc2[N+](=O)[O-])n3cnnn3 | | InChi: | InChI=1S/C20H31N7O7/c28-11-20(32)10-15(17(29)18(30)19(20)31)22-8-4-2-1-3-7-21-14-6-5-13(9-16(14)27(33)34)26-12-23-24-25-26/h5-6,9,12,15,17-19,21-22,28-32H,1-4,7-8,10-11H2/t15-,17-,18+,19-,20-/m0/s1 | | Definition date: | 2020-10-04 | | Last modified: | 2021-09-24 | | Release date: | 2021-09-29 | | Identifier: | (1S,2S,3R,4S,5S)-1-(hydroxymethyl)-5-[(6-{[2-nitro-4-(1H-tetrazol-1-yl)phenyl]amino}hexyl)amino]cyclohexane-1,2,3,4-tetrol |
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 | | W9S | | Name: | (1S,2S,3R,4S,5S)-5-amino-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol | | Formula: | C7 H15 N O5 | | SMILES: | NC1C(C(C(C(CO)(C1)O)O)O)O | | InChi: | InChI=1S/C7H15NO5/c8-3-1-7(13,2-9)6(12)5(11)4(3)10/h3-6,9-13H,1-2,8H2/t3-,4-,5+,6-,7-/m0/s1 | | Definition date: | 2020-10-04 | | Last modified: | 2021-09-24 | | Release date: | 2021-09-29 | | Identifier: | (1S,2S,3R,4S,5S)-5-amino-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol |
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 | | S78 | | Name: | 2-((1-benzyl-1H-indol-4-yl)oxy)-N-((1-(tert-butoxycarbonyl)piperidin-3-yl)methyl)ethan-1-aminium | | Formula: | C28 H38 N3 O3 | | SMILES: | CC(C)(C)OC(=O)N1CCC[CH](C[NH2+]CCOc2cccc3n(Cc4ccccc4)ccc23)C1 | | InChi: | InChI=1S/C28H37N3O3/c1-28(2,3)34-27(32)31-16-8-11-23(21-31)19-29-15-18-33-26-13-7-12-25-24(26)14-17-30(25)20-22-9-5-4-6-10-22/h4-7,9-10,12-14,17,23,29H,8,11,15-16,18-21H2,1-3H3/p+1/t23-/m1/s1 | | Synonyms: | [(3~{R})-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl-[2-[1-(phenylmethyl)indol-4-yl]oxyethyl]azanium | | Definition date: | 2020-11-10 | | Last modified: | 2021-09-24 | | Release date: | 2021-09-29 | | Identifier: | [(3~{R})-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl-[2-[1-(phenylmethyl)indol-4-yl]oxyethyl]azanium |
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 | | YNS | | Name: | 4-{5-[6-(3,5-dimethylanilino)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidine-1-carboximidamide | | Formula: | C22 H28 N8 | | SMILES: | Cc1cc(cc(C)c1)Nc1cccc(n1)c1c(C)nnn1C1CCN(CC1)C(=N)N | | InChi: | InChI=1S/C22H28N8/c1-14-11-15(2)13-17(12-14)25-20-6-4-5-19(26-20)21-16(3)27-28-30(21)18-7-9-29(10-8-18)22(23)24/h4-6,11-13,18H,7-10H2,1-3H3,(H3,23,24)(H,25,26) | | Definition date: | 2021-03-15 | | Last modified: | 2021-09-24 | | Release date: | 2021-09-29 | | Identifier: | 4-{5-[6-(3,5-dimethylanilino)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidine-1-carboximidamide |
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 | | S8K | | Name: | ~{tert}-butyl (3~{S})-3-[[2-[1-(phenylsulfonyl)indol-4-yl]oxyethylamino]methyl]piperidine-1-carboxylate | | Formula: | C27 H35 N3 O5 S | | SMILES: | CC(C)(C)OC(=O)N1CCC[CH](CNCCOc2cccc3n(ccc23)[S](=O)(=O)c4ccccc4)C1 | | InChi: | InChI=1S/C27H35N3O5S/c1-27(2,3)35-26(31)29-16-8-9-21(20-29)19-28-15-18-34-25-13-7-12-24-23(25)14-17-30(24)36(32,33)22-10-5-4-6-11-22/h4-7,10-14,17,21,28H,8-9,15-16,18-20H2,1-3H3/t21-/m0/s1 | | Definition date: | 2020-11-11 | | Last modified: | 2021-09-24 | | Release date: | 2021-09-29 | | Identifier: | ~{tert}-butyl (3~{S})-3-[[2-[1-(phenylsulfonyl)indol-4-yl]oxyethylamino]methyl]piperidine-1-carboxylate |
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 | | V3V | | Name: | 2-({(4R)-4-(2-chlorophenyl)-2-[(6-fluoro-1,3-benzoxazol-2-yl)amino]-6-methyl-1,4-dihydropyrimidine-5-carbonyl}amino)pyridine-4-carboxylic acid | | Formula: | C25 H18 Cl F N6 O4 | | SMILES: | O=C(O)c5ccnc(NC(C3=C(NC(Nc2nc1c(cc(F)cc1)o2)=NC3c4ccccc4Cl)C)=O)c5 | | InChi: | InChI=1S/C25H18ClFN6O4/c1-12-20(22(34)31-19-10-13(23(35)36)8-9-28-19)21(15-4-2-3-5-16(15)26)32-24(29-12)33-25-30-17-7-6-14(27)11-18(17)37-25/h2-11,21H,1H3,(H,35,36)(H,28,31,34)(H2,29,30,32,33)/t21-/m0/s1 | | Definition date: | 2020-06-22 | | Last modified: | 2021-09-24 | | Release date: | 2021-09-29 | | Identifier: | 2-({(4R)-4-(2-chlorophenyl)-2-[(6-fluoro-1,3-benzoxazol-2-yl)amino]-6-methyl-1,4-dihydropyrimidine-5-carbonyl}amino)pyridine-4-carboxylic acid |
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 | | YW1 | | Name: | 9-(cyclopropylmethyl)-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-1-carboxamide | | Formula: | C29 H32 N4 O4 | | SMILES: | Cc1noc(C)c1c1cc(C(N)=O)c2c(c1)c1ccc(cc1n2CC1CC1)C(=O)N1CC(C)OC(C)C1 | | InChi: | InChI=1S/C29H32N4O4/c1-15-12-32(13-16(2)36-15)29(35)20-7-8-22-23-9-21(26-17(3)31-37-18(26)4)10-24(28(30)34)27(23)33(25(22)11-20)14-19-5-6-19/h7-11,15-16,19H,5-6,12-14H2,1-4H3,(H2,30,34)/t15-,16+ | | Definition date: | 2021-04-01 | | Last modified: | 2021-09-24 | | Release date: | 2021-09-29 | | Identifier: | 9-(cyclopropylmethyl)-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-1-carboxamide |
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 | | YW4 | | Name: | 9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9H-carbazole-4-carboxamide | | Formula: | C28 H27 N3 O3 | | SMILES: | Cc1noc(C)c1c1cc2c(c(c1)C(N)=O)c1ccc(cc1n2Cc1ccccc1)C(C)(C)O | | InChi: | InChI=1S/C28H27N3O3/c1-16-25(17(2)34-30-16)19-12-22(27(29)32)26-21-11-10-20(28(3,4)33)14-23(21)31(24(26)13-19)15-18-8-6-5-7-9-18/h5-14,33H,15H2,1-4H3,(H2,29,32) | | Definition date: | 2021-04-01 | | Last modified: | 2021-09-24 | | Release date: | 2021-09-29 | | Identifier: | 9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9H-carbazole-4-carboxamide |
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 | | YW7 | | Name: | 2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9-[(S)-(oxan-4-yl)(phenyl)methyl]-9H-carbazole-4-carboxamide | | Formula: | C33 H35 N3 O4 | | SMILES: | Cc1noc(C)c1c1cc2c(c(c1)C(N)=O)c1ccc(cc1n2C(c1ccccc1)C1CCOCC1)C(C)(C)O | | InChi: | InChI=1S/C33H35N3O4/c1-19-29(20(2)40-35-19)23-16-26(32(34)37)30-25-11-10-24(33(3,4)38)18-27(25)36(28(30)17-23)31(21-8-6-5-7-9-21)22-12-14-39-15-13-22/h5-11,16-18,22,31,38H,12-15H2,1-4H3,(H2,34,37)/t31-/m1/s1 | | Definition date: | 2021-04-01 | | Last modified: | 2021-09-24 | | Release date: | 2021-09-29 | | Identifier: | 2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9-[(S)-(oxan-4-yl)(phenyl)methyl]-9H-carbazole-4-carboxamide |
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 | | YWA | | Name: | 2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol | | Formula: | C30 H33 N5 O2 | | SMILES: | CC(C)(O)c1cc2n(c3cc(cnc3c2cc1)c1c(C)nnn1C)C(C1CCOCC1)c1ccccc1 | | InChi: | InChI=1S/C30H33N5O2/c1-19-28(34(4)33-32-19)22-16-26-27(31-18-22)24-11-10-23(30(2,3)36)17-25(24)35(26)29(20-8-6-5-7-9-20)21-12-14-37-15-13-21/h5-11,16-18,21,29,36H,12-15H2,1-4H3/t29-/m1/s1 | | Definition date: | 2021-04-01 | | Last modified: | 2021-09-24 | | Release date: | 2021-09-29 | | Identifier: | 2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol |
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 | | U4N | | Name: | 2,2,2-tris(fluoranyl)-~{N}-[4-[3-[2-[[(3~{S})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxynaphthalen-1-yl]ethanesulfonamide | | Formula: | C26 H25 F3 N6 O3 S | | SMILES: | FC(F)(F)C[S](=O)(=O)Nc1ccc(Oc2ncccc2c3ccnc(N[CH]4CCCNC4)n3)c5ccccc15 | | InChi: | InChI=1S/C26H25F3N6O3S/c27-26(28,29)16-39(36,37)35-22-9-10-23(19-7-2-1-6-18(19)22)38-24-20(8-4-13-31-24)21-11-14-32-25(34-21)33-17-5-3-12-30-15-17/h1-2,4,6-11,13-14,17,30,35H,3,5,12,15-16H2,(H,32,33,34)/t17-/m0/s1 | | Definition date: | 2021-01-21 | | Last modified: | 2021-09-24 | | Release date: | 2021-09-29 | | Identifier: | 2,2,2-tris(fluoranyl)-~{N}-[4-[3-[2-[[(3~{S})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxynaphthalen-1-yl]ethanesulfonamide |
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 | | W5V | | Name: | 2-(2,6-difluorophenyl)-5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-3,6-dihydropyrimidine-4-carboxamide | | Formula: | C19 H16 F2 N4 O4 | | SMILES: | C2(=C(C(=O)N=C(c1c(F)cccc1F)N2)O)C(=O)NCCc3cc(OC)ncc3 | | InChi: | InChI=1S/C19H16F2N4O4/c1-29-13-9-10(5-7-22-13)6-8-23-18(27)15-16(26)19(28)25-17(24-15)14-11(20)3-2-4-12(14)21/h2-5,7,9,26H,6,8H2,1H3,(H,23,27)(H,24,25,28) | | Definition date: | 2020-09-29 | | Last modified: | 2021-09-24 | | Release date: | 2021-09-29 | | Identifier: | 2-(2,6-difluorophenyl)-5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-3,6-dihydropyrimidine-4-carboxamide |
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 | | YGG | | Name: | 5-[(2-phenylethyl)sulfanyl]-1H-1,2,3-triazole | | Formula: | C10 H11 N3 S | | SMILES: | C(CSc1cnn[NH]1)c1ccccc1 | | InChi: | InChI=1S/C10H11N3S/c1-2-4-9(5-3-1)6-7-14-10-8-11-13-12-10/h1-5,8H,6-7H2,(H,11,12,13) | | Definition date: | 2021-03-03 | | Last modified: | 2021-09-24 | | Release date: | 2021-09-29 | | Identifier: | 5-[(2-phenylethyl)sulfanyl]-1H-1,2,3-triazole |
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 | | 7QB | | Name: | (2S,4R)-4-hydroxy-1-((S)-2-(2-(4-(3-methoxy-4-((4-((2-(methylcarbamoyl)phenyl)amino)-5-(trifluoromethyl)pyridin-2-yl)amino)phenyl)piperazin-1-yl)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide | | Formula: | C50 H59 F3 N10 O6 S | | SMILES: | CNC(=O)c1ccccc1Nc2cc(Nc3ccc(cc3OC)N4CCN(CC4)CC(=O)N[CH](C(=O)N5C[CH](O)C[CH]5C(=O)N[CH](C)c6ccc(cc6)c7scnc7C)C(C)(C)C)ncc2C(F)(F)F | | InChi: | InChI=1S/C50H59F3N10O6S/c1-29(31-12-14-32(15-13-31)44-30(2)56-28-70-44)57-47(67)40-23-34(64)26-63(40)48(68)45(49(3,4)5)60-43(65)27-61-18-20-62(21-19-61)33-16-17-38(41(22-33)69-7)59-42-24-39(36(25-55-42)50(51,52)53)58-37-11-9-8-10-35(37)46(66)54-6/h8-17,22,24-25,28-29,34,40,45,64H,18-21,23,26-27H2,1-7H3,(H,54,66)(H,57,67)(H,60,65)(H2,55,58,59)/t29-,34+,40-,45+/m0/s1 | | Synonyms: | (2S,4R)-1-[(2S)-2-[2-[4-[3-methoxy-4-[[4-[[2-(methylcarbamoyl)phenyl]amino]-5-(trifluoromethyl)pyridin-2-yl]amino]phenyl]piperazin-1-yl]ethanoylamino]-3,3-dimethyl-butanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide | | Definition date: | 2021-08-19 | | Last modified: | 2021-09-24 | | Release date: | 2021-09-29 | | Identifier: | (2~{S},4~{R})-1-[(2~{S})-2-[2-[4-[3-methoxy-4-[[4-[[2-(methylcarbamoyl)phenyl]amino]-5-(trifluoromethyl)pyridin-2-yl]amino]phenyl]piperazin-1-yl]ethanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[(1~{S})-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide |
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 | | 7VT | | Name: | 5-[3,6-dihydro-2H-pyran-4-yl]-2-methoxy-N-[2-methylpyridin-4-yl]pyridine-3-sulfonamide | | Formula: | C17 H19 N3 O4 S | | SMILES: | COc1ncc(cc1[S](=O)(=O)Nc2ccnc(C)c2)C3=CCOCC3 | | InChi: | InChI=1S/C17H19N3O4S/c1-12-9-15(3-6-18-12)20-25(21,22)16-10-14(11-19-17(16)23-2)13-4-7-24-8-5-13/h3-4,6,9-11H,5,7-8H2,1-2H3,(H,18,20) | | Synonyms: | 5-(3,6-dihydro-2~{H}-pyran-4-yl)-2-methoxy-~{N}-(2-methylpyridin-4-yl)pyridine-3-sulfonamide | | Definition date: | 2021-09-09 | | Last modified: | 2021-09-24 | | Release date: | 2021-09-29 | | Identifier: | 5-(3,6-dihydro-2~{H}-pyran-4-yl)-2-methoxy-~{N}-(2-methylpyridin-4-yl)pyridine-3-sulfonamide |
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 | | 7XH | | Name: | ~{N}-[2-[2-fluoranyl-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]pyridin-4-yl]-2-methoxy-5-morpholin-4-yl-pyridine-3-sulfonamide | | Formula: | C29 H37 F N6 O4 S | | SMILES: | COc1ncc(cc1[S](=O)(=O)Nc2ccnc(c2)c3ccc(CN4CCN(CC4)C(C)C)cc3F)N5CCOCC5 | | InChi: | InChI=1S/C29H37FN6O4S/c1-21(2)35-10-8-34(9-11-35)20-22-4-5-25(26(30)16-22)27-17-23(6-7-31-27)33-41(37,38)28-18-24(19-32-29(28)39-3)36-12-14-40-15-13-36/h4-7,16-19,21H,8-15,20H2,1-3H3,(H,31,33) | | Definition date: | 2021-09-09 | | Last modified: | 2021-09-24 | | Release date: | 2021-09-29 | | Identifier: | ~{N}-[2-[2-fluoranyl-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]pyridin-4-yl]-2-methoxy-5-morpholin-4-yl-pyridine-3-sulfonamide |
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 | | 7XN | | Name: | 5-(3,6-dihydro-2~{H}-pyran-4-yl)-2-methoxy-~{N}-[5-[3-(4-propan-2-ylpiperazin-1-yl)prop-1-ynyl]pyridin-3-yl]pyridine-3-sulfonamide | | Formula: | C26 H33 N5 O4 S | | SMILES: | COc1ncc(cc1[S](=O)(=O)Nc2cncc(c2)C#CCN3CCN(CC3)C(C)C)C4=CCOCC4 | | InChi: | InChI=1S/C26H33N5O4S/c1-20(2)31-11-9-30(10-12-31)8-4-5-21-15-24(19-27-17-21)29-36(32,33)25-16-23(18-28-26(25)34-3)22-6-13-35-14-7-22/h6,15-20,29H,7-14H2,1-3H3 | | Definition date: | 2021-09-09 | | Last modified: | 2021-09-24 | | Release date: | 2021-09-29 | | Identifier: | 5-(3,6-dihydro-2~{H}-pyran-4-yl)-2-methoxy-~{N}-[5-[3-(4-propan-2-ylpiperazin-1-yl)prop-1-ynyl]pyridin-3-yl]pyridine-3-sulfonamide |
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 | | 8IE | | Name: | (4R)-3-methyl-5-[(4R)-4-methyl-3,4-dihydroisoquinolin-2(1H)-yl]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidine | | Formula: | C18 H17 N5 S | | SMILES: | CC1CN(Cc2ccccc21)c1nc2ccsc2c2nnc(C)n21 | | InChi: | InChI=1S/C18H17N5S/c1-11-9-22(10-13-5-3-4-6-14(11)13)18-19-15-7-8-24-16(15)17-21-20-12(2)23(17)18/h3-8,11H,9-10H2,1-2H3/t11-/m0/s1 | | Definition date: | 2021-09-20 | | Last modified: | 2021-09-24 | | Release date: | 2021-09-29 | | Identifier: | (4R)-3-methyl-5-[(4R)-4-methyl-3,4-dihydroisoquinolin-2(1H)-yl]thieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidine |
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 | | J10 | | Name: | Methyl farnesoate | | Formula: | C16 H26 O2 | | SMILES: | COC(=O)C=C(C)CCC=C(C)CCC=C(C)C | | InChi: | InChI=1S/C16H26O2/c1-13(2)8-6-9-14(3)10-7-11-15(4)12-16(17)18-5/h8,10,12H,6-7,9,11H2,1-5H3/b14-10?,15-12- | | Synonyms: | (2E,6E)-Methyl 3,7,11-trimethyldodeca-2,6,10-trienoate | | Definition date: | 2021-03-18 | | Last modified: | 2021-09-24 | | Release date: | 2021-09-29 | | Identifier: | methyl 3,7,11-trimethyldodeca-2,6,10-trienoate |
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 | | J33 | | Name: | 6,7-bis(chloranyl)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one | | Formula: | C10 H7 Cl2 N3 O | | SMILES: | Clc1ccc2N=C3NC(=O)CN3Cc2c1Cl | | InChi: | InChI=1S/C10H7Cl2N3O/c11-6-1-2-7-5(9(6)12)3-15-4-8(16)14-10(15)13-7/h1-2H,3-4H2,(H,13,14,16) | | Definition date: | 2021-03-26 | | Last modified: | 2021-09-24 | | Release date: | 2021-09-29 | | Identifier: | 6,7-bis(chloranyl)-3,5-dihydro-1~{H}-imidazo[2,1-b]quinazolin-2-one |
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 | | J36 | | Name: | Parvine | | Formula: | C18 H13 N3 O | | SMILES: | O=C1N2CCc3c([nH]c4ccccc34)C2=Cc5ccncc15 | | InChi: | InChI=1S/C18H13N3O/c22-18-14-10-19-7-5-11(14)9-16-17-13(6-8-21(16)18)12-3-1-2-4-15(12)20-17/h1-5,7,9-10,20H,6,8H2 | | Definition date: | 2021-03-26 | | Last modified: | 2021-09-24 | | Release date: | 2021-09-29 |
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 | | J89 | | Name: | (2~{S})-2-azanyl-4-(4-octylphenyl)-2-[[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxymethyl]butan-1-ol | | Formula: | C19 H34 N O5 P | | SMILES: | CCCCCCCCc1ccc(CC[C](N)(CO)CO[P](O)(O)=O)cc1 | | InChi: | InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m0/s1 | | Definition date: | 2021-04-23 | | Last modified: | 2021-09-24 | | Release date: | 2021-09-29 | | Identifier: | [(2~{S})-2-azanyl-2-(hydroxymethyl)-4-(4-octylphenyl)butyl] dihydrogen phosphate |
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