 | | 9N5 | | Name: | (2~{R})-2-(3-ethynylquinolin-6-yl)oxy-2-methoxy-~{N}-[(1~{E})-1-methoxyimino-2-methyl-propan-2-yl]ethanamide | | Formula: | C19 H21 N3 O4 | | SMILES: | CON=CC(C)(C)NC(=O)[CH](OC)Oc1ccc2ncc(cc2c1)C#C | | InChi: | InChI=1S/C19H21N3O4/c1-6-13-9-14-10-15(7-8-16(14)20-11-13)26-18(24-4)17(23)22-19(2,3)12-21-25-5/h1,7-12,18H,2-5H3,(H,22,23)/b21-12+/t18-/m1/s1 | | Definition date: | 2017-06-08 | | Last modified: | 2017-06-30 | | Release date: | 2017-07-05 | | Identifier: | (2~{R})-2-(3-ethynylquinolin-6-yl)oxy-2-methoxy-~{N}-[(1~{E})-1-methoxyimino-2-methyl-propan-2-yl]ethanamide |
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 | | 9N7 | | Name: | 4-{[(2S)-2-cyclohexyl-2-{5,6-difluoro-2-[4-(1,3-thiazol-2-yl)phenyl]-1H-benzimidazol-1-yl}acetyl]amino}benzoic acid | | Formula: | C31 H26 F2 N4 O3 S | | SMILES: | n1(c4cc(F)c(cc4nc1c2ccc(cc2)c3nccs3)F)C(C(=O)Nc5ccc(cc5)C(O)=O)C6CCCCC6 | | InChi: | InChI=1S/C31H26F2N4O3S/c32-23-16-25-26(17-24(23)33)37(28(36-25)19-6-8-20(9-7-19)30-34-14-15-41-30)27(18-4-2-1-3-5-18)29(38)35-22-12-10-21(11-13-22)31(39)40/h6-18,27H,1-5H2,(H,35,38)(H,39,40)/t27-/m0/s1 | | Definition date: | 2017-05-19 | | Last modified: | 2017-06-30 | | Release date: | 2017-07-05 | | Identifier: | 4-{[(2S)-2-cyclohexyl-2-{5,6-difluoro-2-[4-(1,3-thiazol-2-yl)phenyl]-1H-benzimidazol-1-yl}acetyl]amino}benzoic acid |
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 | | 9NA | | Name: | (2S)-2-cyclohexyl-2-[2-(2,6-dimethoxypyridin-3-yl)-5,6-difluoro-1H-benzimidazol-1-yl]-N-(trans-4-hydroxycyclohexyl)acetamide | | Formula: | C28 H34 F2 N4 O4 | | SMILES: | n3c5c(n(C(C(=O)NC1CCC(CC1)O)C2CCCCC2)c3c4ccc(nc4OC)OC)cc(c(c5)F)F | | InChi: | InChI=1S/C28H34F2N4O4/c1-37-24-13-12-19(28(33-24)38-2)26-32-22-14-20(29)21(30)15-23(22)34(26)25(16-6-4-3-5-7-16)27(36)31-17-8-10-18(35)11-9-17/h12-18,25,35H,3-11H2,1-2H3,(H,31,36)/t17-,18-,25-/m0/s1 | | Definition date: | 2017-05-19 | | Last modified: | 2017-06-30 | | Release date: | 2017-07-05 | | Identifier: | (2S)-2-cyclohexyl-2-[2-(2,6-dimethoxypyridin-3-yl)-5,6-difluoro-1H-benzimidazol-1-yl]-N-(trans-4-hydroxycyclohexyl)acetamide |
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 | | 9ND | | Name: | (2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexyl-N-phenylacetamide | | Formula: | C27 H24 Cl F2 N3 O | | SMILES: | n3(C(C(=O)Nc1ccccc1)C2CCCCC2)c5cc(c(F)cc5nc3c4ccc(cc4)Cl)F | | InChi: | InChI=1S/C27H24ClF2N3O/c28-19-13-11-18(12-14-19)26-32-23-15-21(29)22(30)16-24(23)33(26)25(17-7-3-1-4-8-17)27(34)31-20-9-5-2-6-10-20/h2,5-6,9-17,25H,1,3-4,7-8H2,(H,31,34)/t25-/m0/s1 | | Definition date: | 2017-05-19 | | Last modified: | 2017-06-30 | | Release date: | 2017-07-05 | | Identifier: | (2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexyl-N-phenylacetamide |
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 | | 9NJ | | Name: | trans-4-({(2S)-2-cyclohexyl-2-[2-(2,6-dimethoxypyridin-3-yl)-5-fluoro-1H-benzimidazol-1-yl]acetyl}amino)cyclohexane-1-carboxylic acid | | Formula: | C29 H35 F N4 O5 | | SMILES: | n3c5c(n(C(C(=O)NC1CCC(CC1)C(O)=O)C2CCCCC2)c3c4ccc(OC)nc4OC)ccc(c5)F | | InChi: | InChI=1S/C29H35FN4O5/c1-38-24-15-13-21(28(33-24)39-2)26-32-22-16-19(30)10-14-23(22)34(26)25(17-6-4-3-5-7-17)27(35)31-20-11-8-18(9-12-20)29(36)37/h10,13-18,20,25H,3-9,11-12H2,1-2H3,(H,31,35)(H,36,37)/t18-,20-,25-/m0/s1 | | Definition date: | 2017-05-19 | | Last modified: | 2017-06-30 | | Release date: | 2017-07-05 | | Identifier: | trans-4-({(2S)-2-cyclohexyl-2-[2-(2,6-dimethoxypyridin-3-yl)-5-fluoro-1H-benzimidazol-1-yl]acetyl}amino)cyclohexane-1-carboxylic acid |
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 | | 9NM | | Name: | (2E)-N-cyclohexyl-N-(cyclohexylcarbamoyl)-3-(4-fluorophenyl)prop-2-enamide | | Formula: | C22 H29 F N2 O2 | | SMILES: | C1CCCCC1N(C(=O)NC2CCCCC2)C(=O)C=Cc3ccc(F)cc3 | | InChi: | InChI=1S/C22H29FN2O2/c23-18-14-11-17(12-15-18)13-16-21(26)25(20-9-5-2-6-10-20)22(27)24-19-7-3-1-4-8-19/h11-16,19-20H,1-10H2,(H,24,27)/b16-13+ | | Definition date: | 2017-05-19 | | Last modified: | 2017-06-30 | | Release date: | 2017-07-05 | | Identifier: | (2E)-N-cyclohexyl-N-(cyclohexylcarbamoyl)-3-(4-fluorophenyl)prop-2-enamide |
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 | | 9NP | | Name: | (2S)-N,2-dicyclohexyl-2-{2-[4-(1H-tetrazol-5-yl)phenyl]-1H-benzimidazol-1-yl}acetamide | | Formula: | C28 H33 N7 O | | SMILES: | n4c1c(cccc1)n(C(C(=O)NC2CCCCC2)C3CCCCC3)c4c6ccc(c5nnnn5)cc6 | | InChi: | InChI=1S/C28H33N7O/c36-28(29-22-11-5-2-6-12-22)25(19-9-3-1-4-10-19)35-24-14-8-7-13-23(24)30-27(35)21-17-15-20(16-18-21)26-31-33-34-32-26/h7-8,13-19,22,25H,1-6,9-12H2,(H,29,36)(H,31,32,33,34)/t25-/m0/s1 | | Definition date: | 2017-05-19 | | Last modified: | 2017-06-30 | | Release date: | 2017-07-05 | | Identifier: | (2S)-N,2-dicyclohexyl-2-{2-[4-(1H-tetrazol-5-yl)phenyl]-1H-benzimidazol-1-yl}acetamide |
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 | | 9O1 | | Name: | 3-(2-chlorophenyl)-N-[(1R)-1-(naphthalen-2-yl)ethyl]-5-(propan-2-yl)-1,2-oxazole-4-carboxamide | | Formula: | C25 H23 Cl N2 O2 | | SMILES: | c4c(c1noc(c1C(NC(c3cc2c(cccc2)cc3)C)=O)C(C)C)c(ccc4)Cl | | InChi: | InChI=1S/C25H23ClN2O2/c1-15(2)24-22(23(28-30-24)20-10-6-7-11-21(20)26)25(29)27-16(3)18-13-12-17-8-4-5-9-19(17)14-18/h4-16H,1-3H3,(H,27,29)/t16-/m1/s1 | | Definition date: | 2017-05-19 | | Last modified: | 2017-06-30 | | Release date: | 2017-07-05 | | Identifier: | 3-(2-chlorophenyl)-N-[(1R)-1-(naphthalen-2-yl)ethyl]-5-(propan-2-yl)-1,2-oxazole-4-carboxamide |
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 | | T35 | | Name: | 2-[4-[5-[(1~{S})-1-[(3,5-dimethoxyphenyl)carbamoyl-(phenylmethyl)carbamoyl]oxypropyl]-1,2-oxazol-3-yl]phenoxy]-2-methyl-propanoic acid | | Formula: | C33 H35 N3 O9 | | SMILES: | CC[CH](OC(=O)N(Cc1ccccc1)C(=O)Nc2cc(OC)cc(OC)c2)c3onc(c3)c4ccc(OC(C)(C)C(O)=O)cc4 | | InChi: | InChI=1S/C33H35N3O9/c1-6-28(29-19-27(35-45-29)22-12-14-24(15-13-22)44-33(2,3)30(37)38)43-32(40)36(20-21-10-8-7-9-11-21)31(39)34-23-16-25(41-4)18-26(17-23)42-5/h7-19,28H,6,20H2,1-5H3,(H,34,39)(H,37,38)/t28-/m0/s1 | | Definition date: | 2016-11-11 | | Last modified: | 2017-06-30 | | Release date: | 2017-07-05 | | Identifier: | 2-[4-[5-[(1~{S})-1-[(3,5-dimethoxyphenyl)carbamoyl-(phenylmethyl)carbamoyl]oxypropyl]-1,2-oxazol-3-yl]phenoxy]-2-methyl-propanoic acid |
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 | | J24 | | Name: | ethyl 5-hydroxy-4-(morpholin-4-ylmethyl)-2-phenyl-1-benzofuran-3-carboxylate | | Formula: | C22 H23 N O5 | | SMILES: | O=C(OCC)c2c3c(c(O)ccc3oc2c1ccccc1)CN4CCOCC4 | | InChi: | InChI=1S/C22H23NO5/c1-2-27-22(25)20-19-16(14-23-10-12-26-13-11-23)17(24)8-9-18(19)28-21(20)15-6-4-3-5-7-15/h3-9,24H,2,10-14H2,1H3 | | Definition date: | 2014-01-17 | | Last modified: | 2017-06-30 | | Release date: | 2017-07-05 | | Identifier: | ethyl 5-hydroxy-4-(morpholin-4-ylmethyl)-2-phenyl-1-benzofuran-3-carboxylate |
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 | | I28 | | Name: | ethyl 5-hydroxy-4-[(4-methylpiperidin-1-yl)methyl]-2-phenyl-1-benzofuran-3-carboxylate | | Formula: | C24 H27 N O4 | | SMILES: | O=C(OCC)c1c3c(c(O)ccc3oc1c2ccccc2)CN4CCC(C)CC4 | | InChi: | InChI=1S/C24H27NO4/c1-3-28-24(27)22-21-18(15-25-13-11-16(2)12-14-25)19(26)9-10-20(21)29-23(22)17-7-5-4-6-8-17/h4-10,16,26H,3,11-15H2,1-2H3 | | Definition date: | 2014-01-17 | | Last modified: | 2017-06-30 | | Release date: | 2017-07-05 | | Identifier: | ethyl 5-hydroxy-4-[(4-methylpiperidin-1-yl)methyl]-2-phenyl-1-benzofuran-3-carboxylate |
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 | | I66 | | Name: | ethyl 5-hydroxy-2-phenyl-4-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-carboxylate | | Formula: | C22 H23 N O4 | | SMILES: | O=C(OCC)c1c3c(c(O)ccc3oc1c2ccccc2)CN4CCCC4 | | InChi: | InChI=1S/C22H23NO4/c1-2-26-22(25)20-19-16(14-23-12-6-7-13-23)17(24)10-11-18(19)27-21(20)15-8-4-3-5-9-15/h3-5,8-11,24H,2,6-7,12-14H2,1H3 | | Definition date: | 2014-01-17 | | Last modified: | 2017-06-30 | | Release date: | 2017-07-05 | | Identifier: | ethyl 5-hydroxy-2-phenyl-4-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-carboxylate |
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 | | 0X0 | | Name: | 2-[(3,4-dimethoxyphenyl)-(4-methylphenyl)sulfonyl-amino]-N-(2,4-dimethylpentan-3-yl)ethanamide | | Formula: | C24 H34 N2 O5 S | | SMILES: | O=S(c1ccc(cc1)C)(=O)N(CC(NC(C(C)C)C(C)C)=O)c2ccc(c(c2)OC)OC | | InChi: | InChI=1S/C24H34N2O5S/c1-16(2)24(17(3)4)25-23(27)15-26(19-10-13-21(30-6)22(14-19)31-7)32(28,29)20-11-8-18(5)9-12-20/h8-14,16-17,24H,15H2,1-7H3,(H,25,27) | | Definition date: | 2016-12-16 | | Last modified: | 2017-06-30 | | Release date: | 2017-07-05 | | Identifier: | N~2~-(3,4-dimethoxyphenyl)-N-(2,4-dimethylpentan-3-yl)-N~2~-[(4-methylphenyl)sulfonyl]glycinamide |
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 | | 9B1 | | Name: | 2-[2-(hydroxymethyl)-3-{1-methyl-6-oxo-5-[(pyrimidin-4-yl)amino]-1,6-dihydropyridin-3-yl}phenyl]-6,6-dimethyl-3,4,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-c]pyridin-1(5H)-one | | Formula: | C29 H29 N5 O3 S | | SMILES: | c12c(CC(C1)(C)C)sc3c2CCN(C3=O)c4cccc(c4CO)C5=CN(C(C(=C5)Nc6ccncn6)=O)C | | InChi: | InChI=1S/C29H29N5O3S/c1-29(2)12-20-19-8-10-34(28(37)26(19)38-24(20)13-29)23-6-4-5-18(21(23)15-35)17-11-22(27(36)33(3)14-17)32-25-7-9-30-16-31-25/h4-7,9,11,14,16,35H,8,10,12-13,15H2,1-3H3,(H,30,31,32) | | Definition date: | 2017-04-14 | | Last modified: | 2017-06-30 | | Release date: | 2017-07-05 | | Identifier: | 2-[2-(hydroxymethyl)-3-{1-methyl-6-oxo-5-[(pyrimidin-4-yl)amino]-1,6-dihydropyridin-3-yl}phenyl]-6,6-dimethyl-3,4,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-c]pyridin-1(5H)-one |
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 | | JS1 | | Name: | ethyl 4-[(dimethylamino)methyl]-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate | | Formula: | C20 H21 N O4 | | SMILES: | O=C(OCC)c1c3c(c(O)ccc3oc1c2ccccc2)CN(C)C | | InChi: | InChI=1S/C20H21NO4/c1-4-24-20(23)18-17-14(12-21(2)3)15(22)10-11-16(17)25-19(18)13-8-6-5-7-9-13/h5-11,22H,4,12H2,1-3H3 | | Definition date: | 2014-01-17 | | Last modified: | 2017-06-30 | | Release date: | 2017-07-05 | | Identifier: | ethyl 4-[(dimethylamino)methyl]-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate |
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 | | 5V8 | | Name: | 2-(4-hydroxyphenyl)-~{N}-methyl-5-oxidanyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide | | Formula: | C22 H24 N2 O4 | | SMILES: | CNC(=O)c1c(oc2ccc(O)c(CN3CCCCC3)c12)c4ccc(O)cc4 | | InChi: | InChI=1S/C22H24N2O4/c1-23-22(27)20-19-16(13-24-11-3-2-4-12-24)17(26)9-10-18(19)28-21(20)14-5-7-15(25)8-6-14/h5-10,25-26H,2-4,11-13H2,1H3,(H,23,27) | | Definition date: | 2015-12-07 | | Last modified: | 2017-06-30 | | Release date: | 2017-07-05 | | Identifier: | 2-(4-hydroxyphenyl)-~{N}-methyl-5-oxidanyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide |
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 | | 2K3 | | Name: | 3-OXO-5-METHYLHEXANOIC ACID | | Formula: | C7 H12 O3 | | SMILES: | O=C(CC(C)C)CC(=O)O | | InChi: | InChI=1S/C7H12O3/c1-5(2)3-6(8)4-7(9)10/h5H,3-4H2,1-2H3,(H,9,10) | | Definition date: | 2012-02-29 | | Last modified: | 2017-06-30 | | Release date: | 2017-07-05 | | Identifier: | 5-methyl-3-oxohexanoic acid |
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 | | 6VU | | Name: | 1-(4-methoxybutyl)-~{N}-(2-methylpropyl)-~{N}-[(3~{S},5~{R})-5-morpholin-4-ylcarbonylpiperidin-3-yl]benzimidazole-2-carboxamide | | Formula: | C27 H41 N5 O4 | | SMILES: | COCCCCn1c2ccccc2nc1C(=O)N(CC(C)C)[CH]3CNC[CH](C3)C(=O)N4CCOCC4 | | InChi: | InChI=1S/C27H41N5O4/c1-20(2)19-32(22-16-21(17-28-18-22)26(33)30-11-14-36-15-12-30)27(34)25-29-23-8-4-5-9-24(23)31(25)10-6-7-13-35-3/h4-5,8-9,20-22,28H,6-7,10-19H2,1-3H3/t21-,22+/m1/s1 | | Definition date: | 2016-07-06 | | Last modified: | 2017-06-30 | | Release date: | 2017-07-05 | | Identifier: | 1-(4-methoxybutyl)-~{N}-(2-methylpropyl)-~{N}-[(3~{S},5~{R})-5-morpholin-4-ylcarbonylpiperidin-3-yl]benzimidazole-2-carboxamide |
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 | | 75B | | Name: | 5-selenophen-2-yluridine 5'-(dihydrogen phosphate) | | Formula: | C13 H15 N2 O9 P Se | | SMILES: | P(OCC1OC(C(C1O)O)N2C(NC(=O)C(=C2)c3ccc[se]3)=O)(O)(O)=O | | InChi: | InChI=1S/C13H15N2O9PSe/c16-9-7(5-23-25(20,21)22)24-12(10(9)17)15-4-6(8-2-1-3-26-8)11(18)14-13(15)19/h1-4,7,9-10,12,16-17H,5H2,(H,14,18,19)(H2,20,21,22)/t7-,9-,10-,12-/m1/s1 | | Definition date: | 2016-08-26 | | Last modified: | 2017-06-30 | | Release date: | 2017-07-05 | | Identifier: | 5-selenophen-2-yluridine 5'-(dihydrogen phosphate) |
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 | | 7MJ | | Name: | 3-benzyl-N-[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-5-carboxamide | | Formula: | C20 H19 N5 O3 | | SMILES: | c1ccc(cc1)Cc4nc(C(NC3C(N(c2ccccc2OC3)C)=O)=O)nn4 | | InChi: | InChI=1S/C20H19N5O3/c1-25-15-9-5-6-10-16(15)28-12-14(20(25)27)21-19(26)18-22-17(23-24-18)11-13-7-3-2-4-8-13/h2-10,14H,11-12H2,1H3,(H,21,26)(H,22,23,24)/t14-/m0/s1 | | Definition date: | 2016-11-16 | | Last modified: | 2017-06-30 | | Release date: | 2017-07-05 | | Identifier: | 3-benzyl-N-[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-5-carboxamide |
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 | | Q35 | | Name: | 2-[4-[5-[(1~{R})-1-[(3,5-dimethoxyphenyl)carbamoyl-(phenylmethyl)carbamoyl]oxypropyl]-1,2-oxazol-3-yl]phenoxy]-2-methyl-propanoic acid | | Formula: | C33 H35 N3 O9 | | SMILES: | CC[CH](OC(=O)N(Cc1ccccc1)C(=O)Nc2cc(OC)cc(OC)c2)c3onc(c3)c4ccc(OC(C)(C)C(O)=O)cc4 | | InChi: | InChI=1S/C33H35N3O9/c1-6-28(29-19-27(35-45-29)22-12-14-24(15-13-22)44-33(2,3)30(37)38)43-32(40)36(20-21-10-8-7-9-11-21)31(39)34-23-16-25(41-4)18-26(17-23)42-5/h7-19,28H,6,20H2,1-5H3,(H,34,39)(H,37,38)/t28-/m1/s1 | | Definition date: | 2016-09-20 | | Last modified: | 2017-06-30 | | Release date: | 2017-07-05 | | Identifier: | 2-[4-[5-[(1~{R})-1-[(3,5-dimethoxyphenyl)carbamoyl-(phenylmethyl)carbamoyl]oxypropyl]-1,2-oxazol-3-yl]phenoxy]-2-methyl-propanoic acid |
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 | | 86P | | Name: | [[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl] hydrogen phosphate | | Formula: | C20 H28 N10 O21 P4 | | SMILES: | NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6C(=O)NC(=Nc56)N)[CH](O)[CH]3O | | InChi: | InChI=1S/C20H28N10O21P4/c21-19-25-13-7(15(35)27-19)23-3-29(13)17-11(33)9(31)5(47-17)1-45-52(37,38)49-54(41,42)51-55(43,44)50-53(39,40)46-2-6-10(32)12(34)18(48-6)30-4-24-8-14(30)26-20(22)28-16(8)36/h3-6,9-12,17-18,31-34H,1-2H2,(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H3,21,25,27,35)(H3,22,26,28,36)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1 | | Definition date: | 2017-01-09 | | Last modified: | 2017-06-30 | | Release date: | 2017-07-05 | | Identifier: | [[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl] hydrogen phosphate |
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 | | 86S | | Name: | [[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | | Formula: | C20 H26 N10 O15 P2 | | SMILES: | P(OP(O)(OCC1C(O)C(O)C(O1)n2cnc3c2N=C(NC3=O)N)=O)(O)(=O)OCC6OC(n5c4N=C(NC(=O)c4nc5)N)C(C6O)O | | InChi: | InChI=1S/C20H26N10O15P2/c21-19-25-13-7(15(35)27-19)23-3-29(13)17-11(33)9(31)5(43-17)1-41-46(37,38)45-47(39,40)42-2-6-10(32)12(34)18(44-6)30-4-24-8-14(30)26-20(22)28-16(8)36/h3-6,9-12,17-18,31-34H,1-2H2,(H,37,38)(H,39,40)(H3,21,25,27,35)(H3,22,26,28,36)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1 | | Definition date: | 2017-01-09 | | Last modified: | 2017-06-30 | | Release date: | 2017-07-05 | | Identifier: | bis{[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl} dihydrogen diphosphate (non-preferred name) |
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 | | RMR | | Name: | 3,4,5-trimethoxy-~{N}-(2-thiophen-2-ylethyl)benzamide | | Formula: | C16 H19 N O4 S | | SMILES: | COc1cc(cc(OC)c1OC)C(=O)NCCc2sccc2 | | InChi: | InChI=1S/C16H19NO4S/c1-19-13-9-11(10-14(20-2)15(13)21-3)16(18)17-7-6-12-5-4-8-22-12/h4-5,8-10H,6-7H2,1-3H3,(H,17,18) | | Definition date: | 2016-10-18 | | Last modified: | 2017-06-30 | | Release date: | 2017-07-05 | | Identifier: | 3,4,5-trimethoxy-~{N}-(2-thiophen-2-ylethyl)benzamide |
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 | | 9W1 | | Name: | (4-amino-1,2,5-oxadiazol-3-yl)[(3R)-3-{4-[(3-methoxyphenyl)amino]-6-methylpyridin-2-yl}pyrrolidin-1-yl]methanone | | Formula: | C20 H22 N6 O3 | | SMILES: | n1onc(c1C(N2CC(CC2)c3cc(cc(n3)C)Nc4cc(ccc4)OC)=O)N | | InChi: | InChI=1S/C20H22N6O3/c1-12-8-15(23-14-4-3-5-16(9-14)28-2)10-17(22-12)13-6-7-26(11-13)20(27)18-19(21)25-29-24-18/h3-5,8-10,13H,6-7,11H2,1-2H3,(H2,21,25)(H,22,23)/t13-/m1/s1 | | Definition date: | 2017-06-15 | | Last modified: | 2017-06-23 | | Release date: | 2017-06-28 | | Identifier: | (4-amino-1,2,5-oxadiazol-3-yl)[(3R)-3-{4-[(3-methoxyphenyl)amino]-6-methylpyridin-2-yl}pyrrolidin-1-yl]methanone |
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