 | I4L | 表記: | (2~{S})-2-[2-[4-[3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioic acid | 組成式: | C24 H22 N2 O12 S | SMILES: | OC(=O)C[C](O)(CC(=O)N1CCN(CC1)[S](=O)(=O)c2cc3C(=O)c4ccccc4C(=O)c3c(O)c2O)C(O)=O | InChi: | InChI=1S/C24H22N2O12S/c27-16(10-24(36,23(34)35)11-17(28)29)25-5-7-26(8-6-25)39(37,38)15-9-14-18(22(33)21(15)32)20(31)13-4-2-1-3-12(13)19(14)30/h1-4,9,32-33,36H,5-8,10-11H2,(H,28,29)(H,34,35)/t24-/m0/s1 | 定義日: | 2022-02-10 | 最終更新日: | 2022-08-22 | 公開日: | 2022-04-06 | 識別子(ID): | (2~{S})-2-[2-[4-[3,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioic acid |
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 | 8J9 | 表記: | (2~{S})-2-[[(2~{S})-1-[[(2~{S})-3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-phenyl-butanoic acid | 組成式: | C25 H32 N2 O6 | SMILES: | CCCC[CH](N[CH](CCc1ccccc1)C(O)=O)C(=O)N[CH](Cc2ccc(O)cc2)C(O)=O | InChi: | InChI=1S/C25H32N2O6/c1-2-3-9-20(26-21(24(30)31)15-12-17-7-5-4-6-8-17)23(29)27-22(25(32)33)16-18-10-13-19(28)14-11-18/h4-8,10-11,13-14,20-22,26,28H,2-3,9,12,15-16H2,1H3,(H,27,29)(H,30,31)(H,32,33)/t20-,21-,22-/m0/s1 | 定義日: | 2021-10-25 | 最終更新日: | 2022-08-22 | 公開日: | 2022-02-16 | 識別子(ID): | (2~{S})-2-[[(2~{S})-1-[[(2~{S})-3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-phenyl-butanoic acid |
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 | 5M5 | 表記: | (4R)-6-azanyl-4-[3-(hydroxymethyl)-5-phenyl-phenyl]-3-methyl-4-propan-2-yl-1H-pyrano[2,3-c]pyrazole-5-carbonitrile | 組成式: | C24 H24 N4 O2 | SMILES: | CC(C)[C]1(c2cc(CO)cc(c2)c3ccccc3)C(=C(N)Oc4[nH]nc(C)c14)C#N | InChi: | InChI=1S/C24H24N4O2/c1-14(2)24(20(12-25)22(26)30-23-21(24)15(3)27-28-23)19-10-16(13-29)9-18(11-19)17-7-5-4-6-8-17/h4-11,14,29H,13,26H2,1-3H3,(H,27,28)/t24-/m0/s1 | 定義日: | 2021-08-19 | 最終更新日: | 2022-07-01 | 公開日: | 2022-07-06 | 識別子(ID): | (4~{R})-6-azanyl-4-[3-(hydroxymethyl)-5-phenyl-phenyl]-3-methyl-4-propan-2-yl-1~{H}-pyrano[2,3-c]pyrazole-5-carbonitrile |
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 | 7SN | 表記: | [(2R,3S,4R,5R)-5-(2-azanyl-5-carbamimidoyl-4-oxidanylidene-3H-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate | 組成式: | C12 H17 N6 O8 P | SMILES: | NC(=N)c1cn([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)c3N=C(N)NC(=O)c13 | InChi: | InChI=1S/C12H17N6O8P/c13-8(14)3-1-18(9-5(3)10(21)17-12(15)16-9)11-7(20)6(19)4(26-11)2-25-27(22,23)24/h1,4,6-7,11,19-20H,2H2,(H3,13,14)(H2,22,23,24)(H3,15,16,17,21)/t4-,6-,7-,11-/m1/s1 | 別名: | archaeosine-5'-monophosphate | 定義日: | 2021-10-20 | 最終更新日: | 2022-04-29 | 公開日: | 2022-05-04 | 識別子(ID): | [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-5-carbamimidoyl-4-oxidanylidene-3~{H}-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate |
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 | N6O | 表記: | (3P)-N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-3-(2-fluorophenyl)-1H-pyrazole-4-carboxamide | 組成式: | C19 H16 Cl F N4 O2 | SMILES: | Clc1cccc(c1)C(CC(N)=O)NC(=O)c1c[NH]nc1c1ccccc1F | InChi: | InChI=1S/C19H16ClFN4O2/c20-12-5-3-4-11(8-12)16(9-17(22)26)24-19(27)14-10-23-25-18(14)13-6-1-2-7-15(13)21/h1-8,10,16H,9H2,(H2,22,26)(H,23,25)(H,24,27)/t16-/m0/s1 | 定義日: | 2022-03-24 | 最終更新日: | 2022-04-29 | 公開日: | 2022-05-04 | 識別子(ID): | (3P)-N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-3-(2-fluorophenyl)-1H-pyrazole-4-carboxamide |
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 | 8EI | 表記: | (1-methyl-1H-1,2,4-triazol-3-yl)methyl {(4S)-1-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrrol-4-yl}carbamate | 組成式: | C20 H20 Cl F N6 O3 | SMILES: | Cn1cnc(COC(=O)NC2CCc3c2cn(C)c3C(=O)Nc2ccc(F)c(Cl)c2)n1 | InChi: | InChI=1S/C20H20ClFN6O3/c1-27-8-13-12(18(27)19(29)24-11-3-5-15(22)14(21)7-11)4-6-16(13)25-20(30)31-9-17-23-10-28(2)26-17/h3,5,7-8,10,16H,4,6,9H2,1-2H3,(H,24,29)(H,25,30)/t16-/m0/s1 | 定義日: | 2021-09-16 | 最終更新日: | 2022-04-29 | 公開日: | 2022-05-04 | 識別子(ID): | (1-methyl-1H-1,2,4-triazol-3-yl)methyl {(4S)-1-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrrol-4-yl}carbamate |
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 | YTG | 表記: | N-(4-chlorophenyl)-Nalpha-[(5-hydroxy-1H-indol-3-yl)acetyl]-N-methyl-L-phenylalaninamide | 組成式: | C26 H24 Cl N3 O3 | SMILES: | Clc1ccc(cc1)N(C)C(=O)C(Cc1ccccc1)NC(=O)Cc1c[NH]c2ccc(O)cc21 | InChi: | InChI=1S/C26H24ClN3O3/c1-30(20-9-7-19(27)8-10-20)26(33)24(13-17-5-3-2-4-6-17)29-25(32)14-18-16-28-23-12-11-21(31)15-22(18)23/h2-12,15-16,24,28,31H,13-14H2,1H3,(H,29,32)/t24-/m0/s1 | 定義日: | 2021-03-31 | 最終更新日: | 2022-04-01 | 公開日: | 2022-04-06 | 識別子(ID): | N-(4-chlorophenyl)-Nalpha-[(5-hydroxy-1H-indol-3-yl)acetyl]-N-methyl-L-phenylalaninamide |
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 | 84H | 表記: | (5S)-5-[([1,1'-biphenyl]-4-yl)methyl]-4-methoxy-1,5-dihydro-2H-pyrrol-2-one | 組成式: | C18 H17 N O2 | SMILES: | O=C1C=C(OC)C(Cc2ccc(cc2)c2ccccc2)N1 | InChi: | InChI=1S/C18H17NO2/c1-21-17-12-18(20)19-16(17)11-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-10,12,16H,11H2,1H3,(H,19,20)/t16-/m0/s1 | 定義日: | 2021-09-03 | 最終更新日: | 2022-02-25 | 公開日: | 2022-03-02 | 識別子(ID): | (5S)-5-[([1,1'-biphenyl]-4-yl)methyl]-4-methoxy-1,5-dihydro-2H-pyrrol-2-one |
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 | TU8 | 表記: | (3~{S})-3'-(5-fluoranylpyridin-3-yl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione | 組成式: | C16 H12 F N3 O2 | SMILES: | Fc1cncc(c1)N2C(=O)N[C]3(CCc4ccccc34)C2=O | InChi: | InChI=1S/C16H12FN3O2/c17-11-7-12(9-18-8-11)20-14(21)16(19-15(20)22)6-5-10-3-1-2-4-13(10)16/h1-4,7-9H,5-6H2,(H,19,22)/t16-/m0/s1 | 定義日: | 2021-01-13 | 最終更新日: | 2022-02-18 | 公開日: | 2022-02-23 | 識別子(ID): | (3~{S})-3'-(5-fluoranylpyridin-3-yl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione |
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 | 820 | 表記: | (2S)-2-[[4-propoxy-3-[[[4-(trifluoromethyl)phenyl]carbonylamino]methyl]phenyl]methyl]butanoic acid | 組成式: | C23 H26 F3 N O4 | SMILES: | CCCOc1ccc(C[CH](CC)C(O)=O)cc1CNC(=O)c2ccc(cc2)C(F)(F)F | InChi: | InChI=1S/C23H26F3NO4/c1-3-11-31-20-10-5-15(12-16(4-2)22(29)30)13-18(20)14-27-21(28)17-6-8-19(9-7-17)23(24,25)26/h5-10,13,16H,3-4,11-12,14H2,1-2H3,(H,27,28)(H,29,30)/t16-/m0/s1 | 定義日: | 2021-11-15 | 最終更新日: | 2022-02-04 | 公開日: | 2022-02-09 | 識別子(ID): | (2~{S})-2-[[4-propoxy-3-[[[4-(trifluoromethyl)phenyl]carbonylamino]methyl]phenyl]methyl]butanoic acid |
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 | UJ8 | 表記: | (~{S})-1~{H}-benzimidazol-2-yl-(4-propan-2-ylphenyl)methanol | 組成式: | C17 H18 N2 O | SMILES: | CC(C)c1ccc(cc1)[CH](O)c2[nH]c3ccccc3n2 | InChi: | InChI=1S/C17H18N2O/c1-11(2)12-7-9-13(10-8-12)16(20)17-18-14-5-3-4-6-15(14)19-17/h3-11,16,20H,1-2H3,(H,18,19)/t16-/m0/s1 | 定義日: | 2021-02-23 | 最終更新日: | 2021-09-17 | 公開日: | 2021-09-22 | 識別子(ID): | (~{S})-1~{H}-benzimidazol-2-yl-(4-propan-2-ylphenyl)methanol |
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 | VQS | 表記: | N-(4-{4-[1-(cyclopropylsulfonyl)cyclopropyl]-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl}phenyl)-N'-(2-hydroxyethyl)thiourea | 組成式: | C24 H31 N5 O4 S2 | SMILES: | C1C(C1)S(C5(c3cc(nc(c2ccc(cc2)NC(=S)NCCO)n3)N4C(C)COCC4)CC5)(=O)=O | InChi: | InChI=1S/C24H31N5O4S2/c1-16-15-33-13-11-29(16)21-14-20(24(8-9-24)35(31,32)19-6-7-19)27-22(28-21)17-2-4-18(5-3-17)26-23(34)25-10-12-30/h2-5,14,16,19,30H,6-13,15H2,1H3,(H2,25,26,34)/t16-/m0/s1 | 定義日: | 2020-09-08 | 最終更新日: | 2021-09-17 | 公開日: | 2021-09-22 | 識別子(ID): | N-(4-{4-[1-(cyclopropylsulfonyl)cyclopropyl]-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl}phenyl)-N'-(2-hydroxyethyl)thiourea |
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 | IC6 | 表記: | (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid | 組成式: | C18 H23 N3 O3 | SMILES: | OC(=O)[CH](Cc1ccccc1)NC(=O)CCCCCn2ccnc2 | InChi: | InChI=1S/C18H23N3O3/c22-17(9-5-2-6-11-21-12-10-19-14-21)20-16(18(23)24)13-15-7-3-1-4-8-15/h1,3-4,7-8,10,12,14,16H,2,5-6,9,11,13H2,(H,20,22)(H,23,24)/t16-/m0/s1 | 定義日: | 2021-04-01 | 最終更新日: | 2021-08-13 | 公開日: | 2021-08-18 | 識別子(ID): | (2~{S})-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid |
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 | 07I | 表記: | Spliceostatin E (form I) | 組成式: | C26 H37 N O6 | SMILES: | C[CH]1C[CH](NC(=O)C=C[CH](C)OC(C)=O)[CH](C)O[CH]1CC=C(C)C=C[CH]2CC(=CC(=O)O2)C | InChi: | InChI=1S/C26H37NO6/c1-16(7-10-22-13-17(2)14-26(30)33-22)8-11-24-18(3)15-23(20(5)32-24)27-25(29)12-9-19(4)31-21(6)28/h7-10,12,14,18-20,22-24H,11,13,15H2,1-6H3,(H,27,29)/b10-7+,12-9-,16-8+/t18-,19-,20+,22+,23+,24-/m0/s1 | 別名: | [(Z,2S)-5-[[(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E,4E)-3-methyl-5-[(2S)-4-methyl-6-oxidanylidene-2,3-dihydropyran-2-yl]penta-2,4-dienyl]oxan-3-yl]amino]-5-oxidanylidene-pent-3-en-2-yl] ethanoate | 定義日: | 2021-06-01 | 最終更新日: | 2021-07-30 | 公開日: | 2021-08-04 | 識別子(ID): | [(~{Z},2~{S})-5-[[(2~{R},3~{R},5~{S},6~{S})-2,5-dimethyl-6-[(2~{E},4~{E})-3-methyl-5-[(2~{S})-4-methyl-6-oxidanylidene-2,3-dihydropyran-2-yl]penta-2,4-dienyl]oxan-3-yl]amino]-5-oxidanylidene-pent-3-en-2-yl] ethanoate |
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 | V9Q | 表記: | (3S)-3-(1H-indol-4-yl)-N7-methyl-N5-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-2,3-dihydro-1-benzofuran-5,7-dicarboxamide | 組成式: | C24 H23 N3 O4 | SMILES: | CNC(=O)c1cc(cc2[CH](COc12)c3cccc4[nH]ccc34)C(=O)NC5[CH]6COC[CH]56 | InChi: | InChI=1S/C24H23N3O4/c1-25-24(29)16-8-12(23(28)27-21-18-9-30-10-19(18)21)7-15-17(11-31-22(15)16)13-3-2-4-20-14(13)5-6-26-20/h2-8,17-19,21,26H,9-11H2,1H3,(H,25,29)(H,27,28)/t17-,18-,19+,21+/m0/s1 | 別名: | N5-((1R,5S,6r)-3-oxabicyclo[3.1.0]hexan-6-yl)-3-(1H-indol-4-yl)-N7-methyl-2,3-dihydrobenzofuran-5,7-dicarboxamide | 定義日: | 2021-05-02 | 最終更新日: | 2021-07-23 | 公開日: | 2021-07-28 | 識別子(ID): | (3~{S})-3-(1~{H}-indol-4-yl)-~{N}7-methyl-~{N}5-[(1~{R},5~{S})-3-oxabicyclo[3.1.0]hexan-6-yl]-2,3-dihydro-1-benzofuran-5,7-dicarboxamide |
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 | VEN | 表記: | 2-[(1S)-1-cyclopropylethyl]-5-[4-methyl-2-[[6-(2-oxidanylidenepyrrolidin-1-yl)pyridin-2-yl]amino]-1,3-thiazol-5-yl]-7-methylsulfonyl-3H-isoindol-1-one | 組成式: | C27 H29 N5 O4 S2 | SMILES: | C[CH](C1CC1)N2Cc3cc(cc(c3C2=O)[S](C)(=O)=O)c4sc(Nc5cccc(n5)N6CCCC6=O)nc4C | InChi: | InChI=1S/C27H29N5O4S2/c1-15-25(37-27(28-15)30-21-6-4-7-22(29-21)31-11-5-8-23(31)33)18-12-19-14-32(16(2)17-9-10-17)26(34)24(19)20(13-18)38(3,35)36/h4,6-7,12-13,16-17H,5,8-11,14H2,1-3H3,(H,28,29,30)/t16-/m0/s1 | 別名: | 141754136 | 定義日: | 2021-05-11 | 最終更新日: | 2021-07-09 | 公開日: | 2021-07-14 | 識別子(ID): | 2-[(1~{S})-1-cyclopropylethyl]-5-[4-methyl-2-[[6-(2-oxidanylidenepyrrolidin-1-yl)pyridin-2-yl]amino]-1,3-thiazol-5-yl]-7-methylsulfonyl-3~{H}-isoindol-1-one |
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 | H8X | 表記: | N-[(2R)-3-carbazol-9-yl-2-oxidanyl-propyl]-N-(furan-2-ylmethyl)methanesulfonamide | 組成式: | C21 H22 N2 O4 S | SMILES: | C[S](=O)(=O)N(C[CH](O)Cn1c2ccccc2c3ccccc13)Cc4occc4 | InChi: | InChI=1S/C21H22N2O4S/c1-28(25,26)22(15-17-7-6-12-27-17)13-16(24)14-23-20-10-4-2-8-18(20)19-9-3-5-11-21(19)23/h2-12,16,24H,13-15H2,1H3/t16-/m0/s1 | 定義日: | 2020-11-30 | 最終更新日: | 2021-06-18 | 公開日: | 2021-06-23 | 識別子(ID): | ~{N}-[(2~{R})-3-carbazol-9-yl-2-oxidanyl-propyl]-~{N}-(furan-2-ylmethyl)methanesulfonamide |
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 | J2U | 表記: | (2~{S})-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-4-(phenylmethyl)-2,3-dihydroinden-1-one | 組成式: | C29 H24 O3 | SMILES: | Oc1ccc(C[CH]2Cc3c(Cc4ccccc4)cc(cc3C2=O)c5ccc(O)cc5)cc1 | InChi: | InChI=1S/C29H24O3/c30-25-10-6-20(7-11-25)15-24-18-27-23(14-19-4-2-1-3-5-19)16-22(17-28(27)29(24)32)21-8-12-26(31)13-9-21/h1-13,16-17,24,30-31H,14-15,18H2/t24-/m0/s1 | 定義日: | 2021-03-25 | 最終更新日: | 2021-06-18 | 公開日: | 2021-06-23 | 識別子(ID): | (2~{S})-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-4-(phenylmethyl)-2,3-dihydroinden-1-one |
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 | VSY | 表記: | (3S)-1-[1-(2-aminopyrimidin-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-methylpent-1-yn-3-ol | 組成式: | C16 H16 N6 O | SMILES: | Nc3nccc(n2c1cc(C#CC(C)(O)CC)ncc1cn2)n3 | InChi: | InChI=1S/C16H16N6O/c1-3-16(2,23)6-4-12-8-13-11(9-19-12)10-20-22(13)14-5-7-18-15(17)21-14/h5,7-10,23H,3H2,1-2H3,(H2,17,18,21)/t16-/m0/s1 | 定義日: | 2020-09-11 | 最終更新日: | 2021-05-14 | 公開日: | 2021-05-19 | 識別子(ID): | (3S)-1-[1-(2-aminopyrimidin-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-methylpent-1-yn-3-ol |
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 | U9B | 表記: | (1R,3S)-3-(4-ammoniobutyl)-1-benzyl-1,4-azaphosphinan-1-ium-3-carboxylate 4,4-dioxide | 組成式: | C16 H27 N2 O4 P | SMILES: | [NH3+]CCCC[C]1(C[NH+](CC[P]1(O)=O)Cc2ccccc2)C(O)=O | InChi: | InChI=1S/C16H25N2O4P/c17-9-5-4-8-16(15(19)20)13-18(10-11-23(16,21)22)12-14-6-2-1-3-7-14/h1-3,6-7H,4-5,8-13,17H2,(H,19,20)(H,21,22)/p+2/t16-/m0/s1 | 別名: | 4-[(1~{R},3~{S})-3-carboxy-4-oxidanyl-4-oxidanylidene-1-(phenylmethyl)-1,4$l^{5}-azaphosphinan-1-ium-3-yl]butylazanium | 定義日: | 2021-02-04 | 最終更新日: | 2021-04-02 | 公開日: | 2021-04-07 | 識別子(ID): | 4-[(1~{R},3~{S})-3-carboxy-4-oxidanyl-4-oxidanylidene-1-(phenylmethyl)-1,4$l^{5}-azaphosphinan-1-ium-3-yl]butylazanium |
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 | PN0 | 表記: | Prinomastat | 組成式: | C18 H21 N3 O5 S2 | SMILES: | O=S(=O)(N1C(C(=O)NO)C(SCC1)(C)C)c3ccc(Oc2ccncc2)cc3 | InChi: | InChI=1S/C18H21N3O5S2/c1-18(2)16(17(22)20-23)21(11-12-27-18)28(24,25)15-5-3-13(4-6-15)26-14-7-9-19-10-8-14/h3-10,16,23H,11-12H2,1-2H3,(H,20,22)/t16-/m0/s1 | 別名: | (3S)-N-hydroxy-2,2-dimethyl-4-{[4-(pyridin-4-yloxy)phenyl]sulfonyl}thiomorpholine-3-carboxamide | 定義日: | 2011-02-10 | 最終更新日: | 2021-03-13 | 識別子(ID): | (3S)-N-hydroxy-2,2-dimethyl-4-{[4-(pyridin-4-yloxy)phenyl]sulfonyl}thiomorpholine-3-carboxamide |
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 | 73T | 表記: | 6-Fluoro-5-(R)-(3-(S)-(8-fluoro-1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-2-methylphenyl)-2-(S)-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide | 組成式: | C32 H30 F2 N4 O4 | SMILES: | C6c5c4c(c(C(N)=O)cc(c4c1cccc(c1C)N3C(=O)N(C)c2c(cccc2F)C3=O)F)nc5CC(C6)C(C)(O)C | InChi: | InChI=1S/C32H30F2N4O4/c1-15-17(7-6-10-24(15)38-30(40)19-8-5-9-21(33)28(19)37(4)31(38)41)25-22(34)14-20(29(35)39)27-26(25)18-12-11-16(32(2,3)42)13-23(18)36-27/h5-10,14,16,36,42H,11-13H2,1-4H3,(H2,35,39)/t16-/m0/s1 | 別名: | (2S)-6-fluoro-5-[3-(8-fluoro-1-methyl-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-2-methylphenyl]-2-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide | 定義日: | 2016-08-19 | 最終更新日: | 2021-03-13 | 公開日: | 2017-03-08 | 識別子(ID): | (2S)-6-fluoro-5-[3-(8-fluoro-1-methyl-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-2-methylphenyl]-2-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide |
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 | 756 | 表記: | [(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl](2-methyl-1-benzofuran-5-yl)methanone | 組成式: | C22 H21 N3 O2 | SMILES: | O=C(c1ccc2oc(cc2c1)C)N3CC(CCC3)c4nc5c(n4)cccc5 | InChi: | InChI=1S/C22H21N3O2/c1-14-11-17-12-15(8-9-20(17)27-14)22(26)25-10-4-5-16(13-25)21-23-18-6-2-3-7-19(18)24-21/h2-3,6-9,11-12,16H,4-5,10,13H2,1H3,(H,23,24)/t16-/m0/s1 | 別名: | 2-[1-(2-methyl-1-benzofuran-5-carbonyl)piperidin-3-yl]-1H-1,3-benzodiazole | 定義日: | 2016-04-04 | 最終更新日: | 2021-03-13 | 公開日: | 2017-01-25 | 識別子(ID): | [(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl](2-methyl-1-benzofuran-5-yl)methanone |
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 | 62G | 表記: | CPI-0610 | 組成式: | C20 H16 Cl N3 O2 | SMILES: | n1c(c2c(o1)C(CC(N)=O)N=C(c3c2cccc3)c4ccc(cc4)Cl)C | InChi: | InChI=1S/C20H16ClN3O2/c1-11-18-14-4-2-3-5-15(14)19(12-6-8-13(21)9-7-12)23-16(10-17(22)25)20(18)26-24-11/h2-9,16H,10H2,1H3,(H2,22,25)/t16-/m0/s1 | 別名: | 2-[(4S)-6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetamide | 定義日: | 2016-01-15 | 最終更新日: | 2021-03-13 | 公開日: | 2016-02-10 | 識別子(ID): | 2-[(4S)-6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetamide |
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 | 8A0 | 表記: | (4~{S})-6-azanyl-3-methyl-4-[3-(2-methylphenyl)-5-(trifluoromethyl)phenyl]-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5-carbonitrile | 組成式: | C25 H23 F3 N4 O | SMILES: | CC(C)[C]1(c2cc(cc(c2)C(F)(F)F)c3ccccc3C)C(=C(N)Oc4n[nH]c(C)c14)C#N | InChi: | InChI=1S/C25H23F3N4O/c1-13(2)24(20(12-29)22(30)33-23-21(24)15(4)31-32-23)17-9-16(10-18(11-17)25(26,27)28)19-8-6-5-7-14(19)3/h5-11,13H,30H2,1-4H3,(H,31,32)/t24-/m0/s1 | 別名: | (s)-6-amino-4-isopropyl-3 methyl-4-(2'-methyl-5-(trifluoromethyl)-[1,1'-biphenyl]-3-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile | 定義日: | 2017-05-25 | 最終更新日: | 2021-03-13 | 公開日: | 2017-11-29 | 識別子(ID): | (4~{S})-6-azanyl-3-methyl-4-[3-(2-methylphenyl)-5-(trifluoromethyl)phenyl]-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5-carbonitrile |
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