| 1TK | Name: | 4-amino-1-{2-deoxy-2-fluoro-5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}pyrimidin-2(1H)-one | Formula: | C9 H15 F N3 O13 P3 | SMILES: | O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(N2C=CC(N)=NC2=O)C(F)C1O | InChi: | InChI=1S/C9H15FN3O13P3/c10-6-7(14)4(24-8(6)13-2-1-5(11)12-9(13)15)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,14H,3H2,(H,19,20)(H,21,22)(H2,11,12,15)(H2,16,17,18)/t4-,6+,7-,8-/m1/s1 | Definition date: | 2021-06-25 | Last modified: | 2023-05-19 | Release date: | 2023-05-24 | Identifier: | 4-amino-1-{2-deoxy-2-fluoro-5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}pyrimidin-2(1H)-one |
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| FD0 | Name: | 2-[2-[2-[2-[[5-oxidanylidene-5-[2-[4-[phenyl(propanoyl)amino]piperidin-1-yl]ethylamino]pentanoyl]amino]ethanoylamino]ethanoylamino]ethanoylamino]ethanoic acid | Formula: | C29 H43 N7 O8 | SMILES: | CCC(=O)N(C1CCN(CCNC(=O)CCCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(O)=O)CC1)c2ccccc2 | InChi: | InChI=1S/C29H43N7O8/c1-2-28(42)36(21-7-4-3-5-8-21)22-11-14-35(15-12-22)16-13-30-23(37)9-6-10-24(38)31-17-25(39)32-18-26(40)33-19-27(41)34-20-29(43)44/h3-5,7-8,22H,2,6,9-20H2,1H3,(H,30,37)(H,31,38)(H,32,39)(H,33,40)(H,34,41)(H,43,44) | Definition date: | 2022-01-20 | Last modified: | 2023-05-19 | Release date: | 2023-05-24 | Identifier: | 2-[2-[2-[2-[[5-oxidanylidene-5-[2-[4-[phenyl(propanoyl)amino]piperidin-1-yl]ethylamino]pentanoyl]amino]ethanoylamino]ethanoylamino]ethanoylamino]ethanoic acid |
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| I2R | Name: | (E)-2-cyano-3-(1-phenylindol-3-yl)prop-2-enoic acid | Formula: | C18 H12 N2 O2 | SMILES: | OC(=O)C(=Cc1cn(c2ccccc2)c3ccccc13)C#N | InChi: | InChI=1S/C18H12N2O2/c19-11-13(18(21)22)10-14-12-20(15-6-2-1-3-7-15)17-9-5-4-8-16(14)17/h1-10,12H,(H,21,22)/b13-10+ | Synonyms: | UK-5099 | Definition date: | 2022-06-02 | Last modified: | 2023-05-19 | Release date: | 2023-05-24 | Identifier: | (~{E})-2-cyano-3-(1-phenylindol-3-yl)prop-2-enoic acid |
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| I2U | Name: | 5-chloranyl-2-oxidanyl-3-thiophen-2-ylcarbonyl-indole-1-carboxamide | Formula: | C14 H9 Cl N2 O3 S | SMILES: | NC(=O)n1c(O)c(C(=O)c2sccc2)c3cc(Cl)ccc13 | InChi: | InChI=1S/C14H9ClN2O3S/c15-7-3-4-9-8(6-7)11(13(19)17(9)14(16)20)12(18)10-2-1-5-21-10/h1-6,19H,(H2,16,20) | Synonyms: | tenidap | Definition date: | 2022-06-02 | Last modified: | 2023-05-19 | Release date: | 2023-05-24 | Identifier: | 5-chloranyl-2-oxidanyl-3-thiophen-2-ylcarbonyl-indole-1-carboxamide |
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| IRV | Name: | (2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid | Formula: | C17 H21 N3 O3 | SMILES: | OC(=O)[CH](Cc1ccccc1)NC(=O)CCCCn2ccnc2 | InChi: | InChI=1S/C17H21N3O3/c21-16(8-4-5-10-20-11-9-18-13-20)19-15(17(22)23)12-14-6-2-1-3-7-14/h1-3,6-7,9,11,13,15H,4-5,8,10,12H2,(H,19,21)(H,22,23)/t15-/m0/s1 | Definition date: | 2022-07-12 | Last modified: | 2023-05-19 | Release date: | 2023-05-24 | Identifier: | (2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid |
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| 80J | Name: | 2'-deoxy-2'-fluorocytidine 5'-(tetrahydrogen triphosphate) | Formula: | C9 H15 F N3 O13 P3 | SMILES: | O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(N2C=CC(N)=NC2=O)C(F)C1O | InChi: | InChI=1S/C9H15FN3O13P3/c10-6-7(14)4(24-8(6)13-2-1-5(11)12-9(13)15)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,14H,3H2,(H,19,20)(H,21,22)(H2,11,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 | Definition date: | 2021-08-24 | Last modified: | 2023-05-19 | Release date: | 2023-05-24 | Identifier: | 2'-deoxy-2'-fluorocytidine 5'-(tetrahydrogen triphosphate) |
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| OVL | Name: | (1~{R},25~{R},26~{S},27~{R})-14-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-7-azanyl-26,27-bis(oxidanyl)-28-oxa-2,4,6,9,14,17,21,23-octazatetracyclo[23.2.1.0^{2,10}.0^{3,8}]octacosa-3(8),4,6,9-tetraen-11-yne-16,22-dione | Formula: | C29 H36 N14 O8 | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH](CN4CC#Cc5nc6c(N)ncnc6n5[CH]7O[CH](CNC(=O)NCCCNC(=O)C4)[CH](O)[CH]7O)[CH](O)[CH]3O | InChi: | InChI=1S/C29H36N14O8/c30-23-17-25(37-10-35-23)42(12-39-17)27-21(47)20(46)14(51-27)8-41-6-1-3-15-40-18-24(31)36-11-38-26(18)43(15)28-22(48)19(45)13(50-28)7-34-29(49)33-5-2-4-32-16(44)9-41/h10-14,19-22,27-28,45-48H,2,4-9H2,(H,32,44)(H2,30,35,37)(H2,31,36,38)(H2,33,34,49)/t13-,14-,19-,20-,21-,22-,27-,28-/m1/s1 | Definition date: | 2022-09-21 | Last modified: | 2023-05-15 | Release date: | 2023-01-11 | Identifier: | (1~{R},25~{R},26~{S},27~{R})-14-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-7-azanyl-26,27-bis(oxidanyl)-28-oxa-2,4,6,9,14,17,21,23-octazatetracyclo[23.2.1.0^{2,10}.0^{3,8}]octacosa-3(8),4,6,9-tetraen-11-yne-16,22-dione |
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| OIJ | Name: | 5-[2-(4-fluorophenyl)-7-(4-oxidanylpiperidin-1-yl)pyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one | Formula: | C25 H22 F N5 O2 | SMILES: | OC1CCN(CC1)c2nccc3n2nc(c4ccc(F)cc4)c3c5ccc6NC(=O)Cc6c5 | InChi: | InChI=1S/C25H22FN5O2/c26-18-4-1-15(2-5-18)24-23(16-3-6-20-17(13-16)14-22(33)28-20)21-7-10-27-25(31(21)29-24)30-11-8-19(32)9-12-30/h1-7,10,13,19,32H,8-9,11-12,14H2,(H,28,33) | Definition date: | 2022-09-08 | Last modified: | 2023-05-15 | Release date: | 2023-04-19 | Identifier: | 5-[2-(4-fluorophenyl)-7-(4-oxidanylpiperidin-1-yl)pyrazolo[1,5-c]pyrimidin-3-yl]-1,3-dihydroindol-2-one |
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| SZU | Name: | 2-[2-[2-(1~{H}-benzimidazol-2-yl)ethylamino]ethyl]-~{N}-[(3-fluoranylpyridin-2-yl)methyl]-1,3-oxazole-4-carboxamide | Formula: | C21 H21 F N6 O2 | SMILES: | Fc1cccnc1CNC(=O)c2coc(CCNCCc3[nH]c4ccccc4n3)n2 | InChi: | InChI=1S/C21H21FN6O2/c22-14-4-3-9-24-17(14)12-25-21(29)18-13-30-20(28-18)8-11-23-10-7-19-26-15-5-1-2-6-16(15)27-19/h1-6,9,13,23H,7-8,10-12H2,(H,25,29)(H,26,27) | Definition date: | 2022-12-20 | Last modified: | 2023-05-15 | Release date: | 2023-03-22 | Identifier: | 2-[2-[2-(1~{H}-benzimidazol-2-yl)ethylamino]ethyl]-~{N}-[(3-fluoranylpyridin-2-yl)methyl]-1,3-oxazole-4-carboxamide |
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| OK6 | Name: | 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-(4-azanyl-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl)-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one | Formula: | C27 H29 N9 O13 P2 | SMILES: | NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH]4CO[P](O)(=O)O[CH]5[CH](O)[CH](O[CH]5CO[P](O)(=O)O[CH]3[CH]4O)n6cc(c7ccccc7)c8c(N)ncnc68 | InChi: | InChI=1S/C27H29N9O13P2/c28-21-15-12(11-4-2-1-3-5-11)6-35(22(15)31-9-30-21)25-18(38)19-14(47-25)8-45-51(42,43)49-20-17(37)13(7-44-50(40,41)48-19)46-26(20)36-10-32-16-23(36)33-27(29)34-24(16)39/h1-6,9-10,13-14,17-20,25-26,37-38H,7-8H2,(H,40,41)(H,42,43)(H2,28,30,31)(H3,29,33,34,39)/t13-,14-,17-,18-,19-,20-,25-,26-/m1/s1 | Synonyms: | 2',3'-cyclic-GMP-7-deazaphenyl-AMP | Definition date: | 2022-09-13 | Last modified: | 2023-05-15 | Release date: | 2022-10-12 | Identifier: | 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-(4-azanyl-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl)-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one |
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| R53 | Name: | 2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-morpholin-4-yl-1,3-benzothiazole-6-carboxylic acid | Formula: | C18 H16 Cl2 N4 O4 S | SMILES: | Cc1[nH]c(C(=O)Nc2sc3cc(cc(N4CCOCC4)c3n2)C(O)=O)c(Cl)c1Cl | InChi: | InChI=1S/C18H16Cl2N4O4S/c1-8-12(19)13(20)15(21-8)16(25)23-18-22-14-10(24-2-4-28-5-3-24)6-9(17(26)27)7-11(14)29-18/h6-7,21H,2-5H2,1H3,(H,26,27)(H,22,23,25) | Definition date: | 2022-11-23 | Last modified: | 2023-05-15 | Release date: | 2023-03-29 | Identifier: | 2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-morpholin-4-yl-1,3-benzothiazole-6-carboxylic acid |
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| T6O | Name: | aztreonam | Formula: | C13 H17 N5 O8 S2 | SMILES: | C[CH]1[CH](NC(=O)C(=NOC(C)(C)C(O)=O)c2csc(N)n2)C(=O)N1[S](O)(=O)=O | InChi: | InChI=1S/C13H17N5O8S2/c1-5-7(10(20)18(5)28(23,24)25)16-9(19)8(6-4-27-12(14)15-6)17-26-13(2,3)11(21)22/h4-5,7H,1-3H3,(H2,14,15)(H,16,19)(H,21,22)(H,23,24,25)/t5-,7-/m1/s1 | Synonyms: | 2-[[1-(2-azanyl-1,3-thiazol-4-yl)-2-[(2-methyl-4-oxidanylidene-1-sulfo-azetidin-3-yl)amino]-2-oxidanylidene-ethylidene]amino]oxy-2-methyl-propanoic acid | Definition date: | 2022-12-21 | Last modified: | 2023-05-15 | Release date: | 2023-03-08 | Identifier: | 2-[[1-(2-azanyl-1,3-thiazol-4-yl)-2-[(2-methyl-4-oxidanylidene-1-sulfo-azetidin-3-yl)amino]-2-oxidanylidene-ethylidene]amino]oxy-2-methyl-propanoic acid |
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| QG6 | Name: | (1~{S},2~{R})-2-[(4~{R})-4-methylheptoxy]carbonylcyclohexane-1-carboxylic acid | Formula: | C16 H28 O4 | SMILES: | CCC[CH](C)CCCOC(=O)[CH]1CCCC[CH]1C(O)=O | InChi: | InChI=1S/C16H28O4/c1-3-7-12(2)8-6-11-20-16(19)14-10-5-4-9-13(14)15(17)18/h12-14H,3-11H2,1-2H3,(H,17,18)/t12-,13+,14-/m1/s1 | Synonyms: | MINCH | Definition date: | 2022-10-28 | Last modified: | 2023-05-15 | Release date: | 2023-03-08 | Identifier: | (1~{S},2~{R})-2-[(4~{R})-4-methylheptoxy]carbonylcyclohexane-1-carboxylic acid |
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| QI6 | Name: | pyrazolo[5,1-a]phthalazin-6-amine | Formula: | C10 H8 N4 | SMILES: | Nc1nn2nccc2c3ccccc13 | InChi: | InChI=1S/C10H8N4/c11-10-8-4-2-1-3-7(8)9-5-6-12-14(9)13-10/h1-6H,(H2,11,13) | Definition date: | 2022-10-31 | Last modified: | 2023-05-15 | Release date: | 2022-11-23 | Identifier: | pyrazolo[5,1-a]phthalazin-6-amine |
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| SJL | Name: | 8-(4-azanylbutyl)-6-[2,5-bis(fluoranyl)-4-(6-methylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one | Formula: | C24 H24 F2 N6 O | SMILES: | CNc1ncc2C=C(C(=O)N(CCCCN)c2n1)c3cc(F)c(cc3F)c4cccc(C)n4 | InChi: | InChI=1S/C24H24F2N6O/c1-14-6-5-7-21(30-14)18-12-19(25)16(11-20(18)26)17-10-15-13-29-24(28-2)31-22(15)32(23(17)33)9-4-3-8-27/h5-7,10-13H,3-4,8-9,27H2,1-2H3,(H,28,29,31) | Definition date: | 2022-12-15 | Last modified: | 2023-05-15 | Release date: | 2023-01-18 | Identifier: | 8-(4-azanylbutyl)-6-[2,5-bis(fluoranyl)-4-(6-methylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one |
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| SJX | Name: | 8-(4-azanylbutyl)-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one | Formula: | C24 H25 Cl N6 O | SMILES: | CNc1ncc2C=C(C(=O)N(CCCCN)c2n1)c3ccc(cc3Cl)c4cccc(C)n4 | InChi: | InChI=1S/C24H25ClN6O/c1-15-6-5-7-21(29-15)16-8-9-18(20(25)13-16)19-12-17-14-28-24(27-2)30-22(17)31(23(19)32)11-4-3-10-26/h5-9,12-14H,3-4,10-11,26H2,1-2H3,(H,27,28,30) | Definition date: | 2022-12-15 | Last modified: | 2023-05-15 | Release date: | 2023-01-18 | Identifier: | 8-(4-azanylbutyl)-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one |
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| TWI | Name: | (2~{S})-10-[(3-chloranyl-2-fluoranyl-pyridin-4-yl)amino]-2-cyclopropyl-3,3-bis(fluoranyl)-7-methyl-2,4-dihydro-1~{H}-[1,4]oxazepino[2,3-c]quinolin-6-one | Formula: | C21 H18 Cl F3 N4 O2 | SMILES: | CN1C(=O)C2=C(N[CH](C3CC3)C(F)(F)CO2)c4cc(Nc5ccnc(F)c5Cl)ccc14 | InChi: | InChI=1S/C21H18ClF3N4O2/c1-29-14-5-4-11(27-13-6-7-26-19(23)15(13)22)8-12(14)16-17(20(29)30)31-9-21(24,25)18(28-16)10-2-3-10/h4-8,10,18,28H,2-3,9H2,1H3,(H,26,27)/t18-/m0/s1 | Definition date: | 2023-01-13 | Last modified: | 2023-05-15 | Release date: | 2023-04-26 | Identifier: | (2~{S})-10-[(3-chloranyl-2-fluoranyl-pyridin-4-yl)amino]-2-cyclopropyl-3,3-bis(fluoranyl)-7-methyl-2,4-dihydro-1~{H}-[1,4]oxazepino[2,3-c]quinolin-6-one |
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| QBO | Name: | (4~{R})-4-[(1~{R},2~{S},5~{R},6~{R},13~{S},14~{S},17~{R},19~{R})-6,14-dimethyl-17-oxidanyl-7,8,9,10-tetrazapentacyclo[11.8.0.0^{2,6}.0^{7,11}.0^{14,19}]henicosa-8,10-dien-5-yl]pentanoic acid | Formula: | C24 H38 N4 O3 | SMILES: | C[CH](CCC(O)=O)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](O)CC[C]4(C)[CH]3Cc5nnnn5[C]12C | InChi: | InChI=1S/C24H38N4O3/c1-14(4-9-22(30)31)18-7-8-19-17-6-5-15-12-16(29)10-11-23(15,2)20(17)13-21-25-26-27-28(21)24(18,19)3/h14-20,29H,4-13H2,1-3H3,(H,30,31)/t14-,15-,16-,17+,18-,19+,20+,23+,24-/m1/s1 | Definition date: | 2022-10-24 | Last modified: | 2023-05-15 | Release date: | 2023-03-08 | Identifier: | (4~{R})-4-[(1~{R},2~{S},5~{R},6~{R},13~{S},14~{S},17~{R},19~{R})-6,14-dimethyl-17-oxidanyl-7,8,9,10-tetrazapentacyclo[11.8.0.0^{2,6}.0^{7,11}.0^{14,19}]henicosa-8,10-dien-5-yl]pentanoic acid |
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| 7PX | Name: | (2~{R},4~{R})-4-[[(2~{S},4~{S})-4-fluoranylpyrrolidin-2-yl]carbonylamino]-1-(2-methylpropanoyl)-~{N}-[[4-(2-phenylethynyl)phenyl]methyl]pyrrolidine-2-carboxamide | Formula: | C29 H33 F N4 O3 | SMILES: | CC(C)C(=O)N1C[CH](C[CH]1C(=O)NCc2ccc(cc2)C#Cc3ccccc3)NC(=O)[CH]4C[CH](F)CN4 | InChi: | InChI=1S/C29H33FN4O3/c1-19(2)29(37)34-18-24(33-27(35)25-14-23(30)17-31-25)15-26(34)28(36)32-16-22-12-10-21(11-13-22)9-8-20-6-4-3-5-7-20/h3-7,10-13,19,23-26,31H,14-18H2,1-2H3,(H,32,36)(H,33,35)/t23-,24+,25-,26+/m0/s1 | Definition date: | 2021-08-17 | Last modified: | 2023-05-15 | Release date: | 2022-09-07 | Identifier: | (2~{R},4~{R})-4-[[(2~{S},4~{S})-4-fluoranylpyrrolidin-2-yl]carbonylamino]-1-(2-methylpropanoyl)-~{N}-[[4-(2-phenylethynyl)phenyl]methyl]pyrrolidine-2-carboxamide |
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| 7QF | Name: | 2-azanyl-5-[3-[(2R)-morpholin-2-yl]phenyl]benzenecarbonitrile | Formula: | C17 H17 N3 O | SMILES: | Nc1ccc(cc1C#N)c2cccc(c2)[CH]3CNCCO3 | InChi: | InChI=1S/C17H17N3O/c18-10-15-9-13(4-5-16(15)19)12-2-1-3-14(8-12)17-11-20-6-7-21-17/h1-5,8-9,17,20H,6-7,11,19H2/t17-/m0/s1 | Definition date: | 2021-08-19 | Last modified: | 2023-05-15 | Release date: | 2022-09-21 | Identifier: | 2-azanyl-5-[3-[(2~{R})-morpholin-2-yl]phenyl]benzenecarbonitrile |
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| 7QI | Name: | 2-azanyl-5-[3-[(3R)-morpholin-3-yl]phenyl]benzenecarbonitrile | Formula: | C17 H17 N3 O | SMILES: | Nc1ccc(cc1C#N)c2cccc(c2)[CH]3COCCN3 | InChi: | InChI=1S/C17H17N3O/c18-10-15-9-13(4-5-16(15)19)12-2-1-3-14(8-12)17-11-21-7-6-20-17/h1-5,8-9,17,20H,6-7,11,19H2/t17-/m0/s1 | Definition date: | 2021-08-19 | Last modified: | 2023-05-15 | Release date: | 2022-09-21 | Identifier: | 2-azanyl-5-[3-[(3~{R})-morpholin-3-yl]phenyl]benzenecarbonitrile |
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| 7QL | Name: | 5-[3-[4-(aminomethyl)oxan-4-yl]phenyl]-2-azanyl-benzenecarbonitrile | Formula: | C19 H21 N3 O | SMILES: | NCC1(CCOCC1)c2cccc(c2)c3ccc(N)c(c3)C#N | InChi: | InChI=1S/C19H21N3O/c20-12-16-10-15(4-5-18(16)22)14-2-1-3-17(11-14)19(13-21)6-8-23-9-7-19/h1-5,10-11H,6-9,13,21-22H2 | Definition date: | 2021-08-19 | Last modified: | 2023-05-15 | Release date: | 2022-09-21 | Identifier: | 5-[3-[4-(aminomethyl)oxan-4-yl]phenyl]-2-azanyl-benzenecarbonitrile |
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| 7QR | Name: | 6-azanyl-2-chloranyl-3-[(Z)-piperidin-3-ylidenemethyl]benzenecarbonitrile | Formula: | C13 H14 Cl N3 | SMILES: | Nc1ccc(C=C2CCCNC2)c(Cl)c1C#N | InChi: | InChI=1S/C13H14ClN3/c14-13-10(3-4-12(16)11(13)7-15)6-9-2-1-5-17-8-9/h3-4,6,17H,1-2,5,8,16H2/b9-6- | Definition date: | 2021-08-19 | Last modified: | 2023-05-15 | Release date: | 2022-09-21 | Identifier: | 6-azanyl-2-chloranyl-3-[(~{Z})-piperidin-3-ylidenemethyl]benzenecarbonitrile |
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| ZY8 | Name: | (4bS,8R,8aS,14bR)-7-(cyclopropylmethyl)-5,6,7,8,9,14b-hexahydro-8aH-4,8-methanobis[1]benzofuro[3,2-e:2',3'-g]isoquinoline-1,8a-diol | Formula: | C26 H25 N O4 | SMILES: | OC12Cc3c(oc4ccccc43)C3Oc4c(O)ccc5CC1N(CC1CC1)CCC32c54 | InChi: | InChI=1S/C26H25NO4/c28-18-8-7-15-11-20-26(29)12-17-16-3-1-2-4-19(16)30-22(17)24-25(26,21(15)23(18)31-24)9-10-27(20)13-14-5-6-14/h1-4,7-8,14,20,24,28-29H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1 | Definition date: | 2023-04-17 | Last modified: | 2023-05-12 | Release date: | 2023-05-17 | Identifier: | (4bS,8R,8aS,14bR)-7-(cyclopropylmethyl)-5,6,7,8,9,14b-hexahydro-8aH-4,8-methanobis[1]benzofuro[3,2-e:2',3'-g]isoquinoline-1,8a-diol |
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| ZJ3 | Name: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3S,4R,5R)-3,4-dihydroxy-5-{[2-oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl]oxy}oxolan-2-yl]methyl dihydrogen diphosphate | Formula: | C25 H26 F3 N5 O16 P2 | SMILES: | Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(Oc3cc4OC(=O)C=C(c4cc3)C(F)(F)F)C(O)C2O)C(O)C1O | InChi: | InChI=1S/C25H26F3N5O16P2/c26-25(27,28)11-4-15(34)46-12-3-9(1-2-10(11)12)45-24-20(38)18(36)14(48-24)6-44-51(41,42)49-50(39,40)43-5-13-17(35)19(37)23(47-13)33-8-32-16-21(29)30-7-31-22(16)33/h1-4,7-8,13-14,17-20,23-24,35-38H,5-6H2,(H,39,40)(H,41,42)(H2,29,30,31)/t13-,14-,17-,18-,19-,20-,23-,24+/m1/s1 | Definition date: | 2023-03-14 | Last modified: | 2023-05-12 | Release date: | 2023-05-17 | Identifier: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3S,4R,5R)-3,4-dihydroxy-5-{[2-oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl]oxy}oxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
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