![5Z6 5Z6](https://data.pdbj.org/pdbjplus/data/cc/svg/5Z6.svg) | 5Z6 | 表記: | 4-[(E)-3-(3,5-ditert-butylphenyl)-3-oxidanylidene-prop-1-enyl]benzoic acid | 組成式: | C24 H28 O3 | SMILES: | CC(C)(C)c1cc(cc(c1)C(C)(C)C)C(=O)C=Cc2ccc(cc2)C(O)=O | InChi: | InChI=1S/C24H28O3/c1-23(2,3)19-13-18(14-20(15-19)24(4,5)6)21(25)12-9-16-7-10-17(11-8-16)22(26)27/h7-15H,1-6H3,(H,26,27)/b12-9+ | 定義日: | 2022-02-04 | 最終更新日: | 2023-01-20 | 公開日: | 2023-01-25 | 識別子(ID): | 4-[(~{E})-3-(3,5-di~{tert}-butylphenyl)-3-oxidanylidene-prop-1-enyl]benzoic acid |
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![5ZV 5ZV](https://data.pdbj.org/pdbjplus/data/cc/svg/5ZV.svg) | 5ZV | 表記: | [[(2~{R},3~{R},4~{S},5~{R})-5-(3-aminocarbonylpyridin-1-yl)-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | 組成式: | C21 H27 F N7 O13 P2 | SMILES: | NC(=O)c1ccc[n](c1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2F | InChi: | InChI=1S/C21H27FN7O13P2/c22-12-14(30)10(40-20(12)28-3-1-2-9(4-28)18(24)33)5-38-43(34,35)42-44(36,37)39-6-11-15(31)16(32)21(41-11)29-8-27-13-17(23)25-7-26-19(13)29/h1-4,7-8,10-12,14-16,20-21,30-32H,5-6H2,(H2,24,33)(H,34,35)(H,36,37)(H2,23,25,26)/t10-,11-,12+,14-,15-,16-,20-,21-/m1/s1 | 定義日: | 2022-02-10 | 最終更新日: | 2023-01-20 | 公開日: | 2023-01-25 | 識別子(ID): | [[(2~{R},3~{R},4~{S},5~{R})-5-(3-aminocarbonylpyridin-1-yl)-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate |
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![5ZY 5ZY](https://data.pdbj.org/pdbjplus/data/cc/svg/5ZY.svg) | 5ZY | 表記: | [[(3~{a}~{S},5~{R},6~{R},6~{a}~{R})-2-azanylidene-3-[(4~{R})-4-azanyl-5-oxidanylidene-pentyl]-6-oxidanyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxazol-5-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | 組成式: | C21 H32 N8 O14 P2 | SMILES: | N[CH](CCCN1[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2OC1=N)C=O | InChi: | InChI=1S/C21H32N8O14P2/c22-9(4-30)2-1-3-28-20-16(42-21(28)24)14(32)11(41-20)6-39-45(36,37)43-44(34,35)38-5-10-13(31)15(33)19(40-10)29-8-27-12-17(23)25-7-26-18(12)29/h4,7-11,13-16,19-20,24,31-33H,1-3,5-6,22H2,(H,34,35)(H,36,37)(H2,23,25,26)/b24-21-/t9-,10-,11-,13-,14-,15-,16-,19-,20+/m1/s1 | 定義日: | 2022-02-10 | 最終更新日: | 2023-01-20 | 公開日: | 2023-01-25 | 識別子(ID): | [[(3~{a}~{S},5~{R},6~{R},6~{a}~{R})-2-azanylidene-3-[(4~{R})-4-azanyl-5-oxidanylidene-pentyl]-6-oxidanyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxazol-5-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate |
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![HYJ HYJ](https://data.pdbj.org/pdbjplus/data/cc/svg/HYJ.svg) | HYJ | 表記: | 9-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[[tris(oxidanyl)-$l^{5}-phosphanyl]oxymethyl]oxolan-2-yl]-2-oxidanyl-1~{H}-purin-6-one | 組成式: | C10 H13 N4 O9 P | SMILES: | O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2cnc3C(=O)NC(=Nc23)O | InChi: | InChI=1S/C10H13N4O9P/c15-5-3(1-22-24(19,20)21)23-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17/h2-3,5-6,9,15-16H,1H2,(H2,19,20,21)(H2,12,13,17,18)/t3-,5-,6-,9-/m1/s1 | 定義日: | 2022-02-07 | 最終更新日: | 2023-01-20 | 公開日: | 2023-01-25 | 識別子(ID): | [(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-(2-oxidanyl-6-oxidanylidene-1~{H}-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate |
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![I1B I1B](https://data.pdbj.org/pdbjplus/data/cc/svg/I1B.svg) | I1B | 表記: | 6,8-dimethyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole | 組成式: | C10 H9 N3 S | SMILES: | Cc1cc(C)c2n3cnnc3sc2c1 | InChi: | InChI=1S/C10H9N3S/c1-6-3-7(2)9-8(4-6)14-10-12-11-5-13(9)10/h3-5H,1-2H3 | 別名: | 5,7-Dimethyl(1,2,4)triazolo(3,4-b)(1,3)benzothiazole | 定義日: | 2022-02-08 | 最終更新日: | 2023-01-20 | 公開日: | 2023-01-25 | 識別子(ID): | 6,8-dimethyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole |
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![EMI EMI](https://data.pdbj.org/pdbjplus/data/cc/svg/EMI.svg) | EMI | 表記: | N-(2-aminophenyl)-4-((2-oxo-2-((4-sulfamoylphenethyl)amino)ethyl)amino)benzamide | 組成式: | C23 H25 N5 O4 S | SMILES: | Nc1ccccc1NC(=O)c2ccc(NCC(=O)NCCc3ccc(cc3)[S](N)(=O)=O)cc2 | InChi: | InChI=1S/C23H25N5O4S/c24-20-3-1-2-4-21(20)28-23(30)17-7-9-18(10-8-17)27-15-22(29)26-14-13-16-5-11-19(12-6-16)33(25,31)32/h1-12,27H,13-15,24H2,(H,26,29)(H,28,30)(H2,25,31,32) | 定義日: | 2022-01-11 | 最終更新日: | 2023-01-20 | 公開日: | 2023-01-25 | 識別子(ID): | ~{N}-(2-aminophenyl)-4-[[2-oxidanylidene-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]amino]benzamide |
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![EUM EUM](https://data.pdbj.org/pdbjplus/data/cc/svg/EUM.svg) | EUM | 表記: | ~{N}-(2-aminophenyl)-4-[[2-oxidanylidene-2-[(4-sulfamoylphenyl)methylamino]ethyl]amino]benzamide | 組成式: | C22 H23 N5 O4 S | SMILES: | Nc1ccccc1NC(=O)c2ccc(NCC(=O)NCc3ccc(cc3)[S](N)(=O)=O)cc2 | InChi: | InChI=1S/C22H23N5O4S/c23-19-3-1-2-4-20(19)27-22(29)16-7-9-17(10-8-16)25-14-21(28)26-13-15-5-11-18(12-6-15)32(24,30)31/h1-12,25H,13-14,23H2,(H,26,28)(H,27,29)(H2,24,30,31) | 別名: | N-(2-aminophenyl)-4-((2-oxo-2-((4-sulfamoylbenzyl)amino)ethyl)amino)benzamide | 定義日: | 2022-01-17 | 最終更新日: | 2023-01-20 | 公開日: | 2023-01-25 | 識別子(ID): | ~{N}-(2-aminophenyl)-4-[[2-oxidanylidene-2-[(4-sulfamoylphenyl)methylamino]ethyl]amino]benzamide |
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![MV0 MV0](https://data.pdbj.org/pdbjplus/data/cc/svg/MV0.svg) | MV0 | 表記: | 7-acetyl-4-methoxy-1-benzofuran-3(2H)-one | 組成式: | C11 H10 O4 | SMILES: | CC(=O)c1ccc(OC)c2c1OCC2=O | InChi: | InChI=1S/C11H10O4/c1-6(12)7-3-4-9(14-2)10-8(13)5-15-11(7)10/h3-4H,5H2,1-2H3 | 定義日: | 2022-03-17 | 最終更新日: | 2023-01-20 | 公開日: | 2023-01-25 | 識別子(ID): | 7-acetyl-4-methoxy-1-benzofuran-3(2H)-one |
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![2I9 2I9](https://data.pdbj.org/pdbjplus/data/cc/svg/2I9.svg) | 2I9 | 表記: | (~{Z})-4-[2-[4-[[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]oxy]phenoxy]ethylamino]-~{N},~{N}-dimethyl-but-2-enamide | 組成式: | C28 H28 N2 O5 S | SMILES: | CN(C)C(=O)C=CCNCCOc1ccc(Oc2c(sc3cc(O)ccc23)c4ccc(O)cc4)cc1 | InChi: | InChI=1S/C28H28N2O5S/c1-30(2)26(33)4-3-15-29-16-17-34-22-10-12-23(13-11-22)35-27-24-14-9-21(32)18-25(24)36-28(27)19-5-7-20(31)8-6-19/h3-14,18,29,31-32H,15-17H2,1-2H3/b4-3- | 定義日: | 2022-01-27 | 最終更新日: | 2023-01-20 | 公開日: | 2023-01-25 | 識別子(ID): | (~{Z})-4-[2-[4-[[2-(4-hydroxyphenyl)-6-oxidanyl-1-benzothiophen-3-yl]oxy]phenoxy]ethylamino]-~{N},~{N}-dimethyl-but-2-enamide |
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![08O 08O](https://data.pdbj.org/pdbjplus/data/cc/svg/08O.svg) | 08O | 表記: | (Z)-docos-13-enoic acid | 組成式: | C22 H42 O2 | SMILES: | CCCCCCCCC=CCCCCCCCCCCCC(O)=O | InChi: | InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H,23,24)/b10-9- | 定義日: | 2022-01-19 | 最終更新日: | 2023-01-20 | 公開日: | 2023-01-25 | 識別子(ID): | (~{Z})-docos-13-enoic acid |
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![7UT 7UT](https://data.pdbj.org/pdbjplus/data/cc/svg/7UT.svg) | 7UT | 表記: | 12-methoxylauric acid | 組成式: | C13 H26 O3 | SMILES: | COCCCCCCCCCCCC(O)=O | InChi: | InChI=1S/C13H26O3/c1-16-12-10-8-6-4-2-3-5-7-9-11-13(14)15/h2-12H2,1H3,(H,14,15) | 別名: | 12-methoxydodecanoic acid | 定義日: | 2021-09-06 | 最終更新日: | 2023-01-20 | 公開日: | 2023-01-25 | 識別子(ID): | 12-methoxydodecanoic acid |
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![IUC IUC](https://data.pdbj.org/pdbjplus/data/cc/svg/IUC.svg) | IUC | 表記: | (4-bromanyl-3-nitro-phenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone | 組成式: | C17 H15 Br F N3 O3 | SMILES: | [O-][N+](=O)c1cc(ccc1Br)C(=O)N2CCN(CC2)c3ccccc3F | InChi: | InChI=1S/C17H15BrFN3O3/c18-13-6-5-12(11-16(13)22(24)25)17(23)21-9-7-20(8-10-21)15-4-2-1-3-14(15)19/h1-6,11H,7-10H2 | 定義日: | 2022-04-13 | 最終更新日: | 2023-01-20 | 公開日: | 2023-01-25 | 識別子(ID): | (4-bromanyl-3-nitro-phenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone |
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![IUF IUF](https://data.pdbj.org/pdbjplus/data/cc/svg/IUF.svg) | IUF | 表記: | ~{O}9-methyl ~{O}4-[2,2,2-tris(chloranyl)ethyl] (5~{a}~{S},6~{a}~{S},9~{R},10~{a}~{S})-7-methyl-3-nitro-5,5~{a},6,6~{a},8,9,10,10~{a}-octahydroindolo[4,3-fg]quinoline-4,9-dicarboxylate | 組成式: | C20 H22 Cl3 N3 O6 | SMILES: | COC(=O)[CH]1C[CH]2[CH](C[CH]3CN(C(=O)OCC(Cl)(Cl)Cl)c4c(ccc2c34)[N+]([O-])=O)N(C)C1 | InChi: | InChI=1S/C20H22Cl3N3O6/c1-24-7-11(18(27)31-2)5-13-12-3-4-14(26(29)30)17-16(12)10(6-15(13)24)8-25(17)19(28)32-9-20(21,22)23/h3-4,10-11,13,15H,5-9H2,1-2H3/t10-,11-,13+,15+/m1/s1 | 定義日: | 2022-04-13 | 最終更新日: | 2023-01-20 | 公開日: | 2023-01-25 | 識別子(ID): | ~{O}9-methyl ~{O}4-[2,2,2-tris(chloranyl)ethyl] (5~{a}~{S},6~{a}~{S},9~{R},10~{a}~{S})-7-methyl-3-nitro-5,5~{a},6,6~{a},8,9,10,10~{a}-octahydroindolo[4,3-fg]quinoline-4,9-dicarboxylate |
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![IUJ IUJ](https://data.pdbj.org/pdbjplus/data/cc/svg/IUJ.svg) | IUJ | 表記: | 4-fluoranyl-~{N}-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide | 組成式: | C18 H19 F N2 O | SMILES: | Fc1ccc(cc1)C(=O)NCc2ccc(cc2)N3CCCC3 | InChi: | InChI=1S/C18H19FN2O/c19-16-7-5-15(6-8-16)18(22)20-13-14-3-9-17(10-4-14)21-11-1-2-12-21/h3-10H,1-2,11-13H2,(H,20,22) | 定義日: | 2022-04-13 | 最終更新日: | 2023-01-20 | 公開日: | 2023-01-25 | 識別子(ID): | 4-fluoranyl-~{N}-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide |
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![IUO IUO](https://data.pdbj.org/pdbjplus/data/cc/svg/IUO.svg) | IUO | 表記: | (4-chloranyl-3-nitro-phenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone | 組成式: | C17 H15 Cl F N3 O3 | SMILES: | [O-][N+](=O)c1cc(ccc1Cl)C(=O)N2CCN(CC2)c3ccccc3F | InChi: | InChI=1S/C17H15ClFN3O3/c18-13-6-5-12(11-16(13)22(24)25)17(23)21-9-7-20(8-10-21)15-4-2-1-3-14(15)19/h1-6,11H,7-10H2 | 定義日: | 2022-04-13 | 最終更新日: | 2023-01-20 | 公開日: | 2023-01-25 | 識別子(ID): | (4-chloranyl-3-nitro-phenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone |
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![WNQ WNQ](https://data.pdbj.org/pdbjplus/data/cc/svg/WNQ.svg) | WNQ | 表記: | 4-(4-methylpiperazine-1-sulfonyl)benzamide | 組成式: | C12 H17 N3 O3 S | SMILES: | CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(N)=O | InChi: | InChI=1S/C12H17N3O3S/c1-14-6-8-15(9-7-14)19(17,18)11-4-2-10(3-5-11)12(13)16/h2-5H,6-9H2,1H3,(H2,13,16) | 定義日: | 2022-10-04 | 最終更新日: | 2023-01-13 | 公開日: | 2023-01-18 | 識別子(ID): | 4-(4-methylpiperazine-1-sulfonyl)benzamide |
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![X4I X4I](https://data.pdbj.org/pdbjplus/data/cc/svg/X4I.svg) | X4I | 表記: | N~2~-(3,5-difluorophenyl)-N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]glycinamide | 組成式: | C22 H16 F5 N3 O3 | SMILES: | Fc1cc(cc(F)c1F)c1ccc(cc1)C(NC(=O)CNc1cc(F)cc(F)c1)C(=O)NO | InChi: | InChI=1S/C22H16F5N3O3/c23-14-7-15(24)9-16(8-14)28-10-19(31)29-21(22(32)30-33)12-3-1-11(2-4-12)13-5-17(25)20(27)18(26)6-13/h1-9,21,28,33H,10H2,(H,29,31)(H,30,32)/t21-/m1/s1 | 定義日: | 2022-10-27 | 最終更新日: | 2023-01-13 | 公開日: | 2023-01-18 | 識別子(ID): | N~2~-(3,5-difluorophenyl)-N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]glycinamide |
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![X4O X4O](https://data.pdbj.org/pdbjplus/data/cc/svg/X4O.svg) | X4O | 表記: | N-[(1R)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]-N~2~-(4-fluorophenyl)glycinamide | 組成式: | C16 H15 Br F N3 O3 | SMILES: | Brc1ccc(cc1)C(NC(=O)CNc1ccc(F)cc1)C(=O)NO | InChi: | InChI=1S/C16H15BrFN3O3/c17-11-3-1-10(2-4-11)15(16(23)21-24)20-14(22)9-19-13-7-5-12(18)6-8-13/h1-8,15,19,24H,9H2,(H,20,22)(H,21,23)/t15-/m1/s1 | 定義日: | 2022-10-27 | 最終更新日: | 2023-01-13 | 公開日: | 2023-01-18 | 識別子(ID): | N-[(1R)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]-N~2~-(4-fluorophenyl)glycinamide |
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![X4T X4T](https://data.pdbj.org/pdbjplus/data/cc/svg/X4T.svg) | X4T | 表記: | N-[(1R)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]-N~2~-phenylglycinamide | 組成式: | C16 H16 Br N3 O3 | SMILES: | Brc1ccc(cc1)C(NC(=O)CNc1ccccc1)C(=O)NO | InChi: | InChI=1S/C16H16BrN3O3/c17-12-8-6-11(7-9-12)15(16(22)20-23)19-14(21)10-18-13-4-2-1-3-5-13/h1-9,15,18,23H,10H2,(H,19,21)(H,20,22)/t15-/m1/s1 | 定義日: | 2022-10-27 | 最終更新日: | 2023-01-13 | 公開日: | 2023-01-18 | 識別子(ID): | N-[(1R)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]-N~2~-phenylglycinamide |
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![X68 X68](https://data.pdbj.org/pdbjplus/data/cc/svg/X68.svg) | X68 | 表記: | N-[(1R)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]-N~2~-(3-fluorophenyl)glycinamide | 組成式: | C16 H15 Br F N3 O3 | SMILES: | Brc1ccc(cc1)C(NC(=O)CNc1cccc(F)c1)C(=O)NO | InChi: | InChI=1S/C16H15BrFN3O3/c17-11-6-4-10(5-7-11)15(16(23)21-24)20-14(22)9-19-13-3-1-2-12(18)8-13/h1-8,15,19,24H,9H2,(H,20,22)(H,21,23)/t15-/m1/s1 | 定義日: | 2022-10-31 | 最終更新日: | 2023-01-13 | 公開日: | 2023-01-18 | 識別子(ID): | N-[(1R)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]-N~2~-(3-fluorophenyl)glycinamide |
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![X9N X9N](https://data.pdbj.org/pdbjplus/data/cc/svg/X9N.svg) | X9N | 表記: | 1-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]butan-1-one | 組成式: | C16 H23 F N2 O | SMILES: | CCN1CCN(CC1)c1ccc(cc1F)C(=O)CCC | InChi: | InChI=1S/C16H23FN2O/c1-3-5-16(20)13-6-7-15(14(17)12-13)19-10-8-18(4-2)9-11-19/h6-7,12H,3-5,8-11H2,1-2H3 | 定義日: | 2022-11-07 | 最終更新日: | 2023-01-13 | 公開日: | 2023-01-18 | 識別子(ID): | 1-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]butan-1-one |
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![S5N S5N](https://data.pdbj.org/pdbjplus/data/cc/svg/S5N.svg) | S5N | 表記: | N-((1,4-dimethyl-2-oxo-1,2-dihydroquinolin-6-yl)methyl)benzenesulfonamide | 組成式: | C18 H18 N2 O3 S | SMILES: | CN1C(=O)C=C(C)c2cc(CN[S](=O)(=O)c3ccccc3)ccc12 | InChi: | InChI=1S/C18H18N2O3S/c1-13-10-18(21)20(2)17-9-8-14(11-16(13)17)12-19-24(22,23)15-6-4-3-5-7-15/h3-11,19H,12H2,1-2H3 | 別名: | ~{N}-[(1,4-dimethyl-2-oxidanylidene-quinolin-6-yl)methyl]benzenesulfonamide | 定義日: | 2020-11-08 | 最終更新日: | 2023-01-13 | 公開日: | 2023-01-18 | 識別子(ID): | ~{N}-[(1,4-dimethyl-2-oxidanylidene-quinolin-6-yl)methyl]benzenesulfonamide |
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![X0I X0I](https://data.pdbj.org/pdbjplus/data/cc/svg/X0I.svg) | X0I | 表記: | (2R)-2-(cyclopentylcarbamamido)-N-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide | 組成式: | C20 H20 F3 N3 O3 | SMILES: | O=C(NC(c1ccc(cc1)c1cc(F)c(F)c(F)c1)C(=O)NO)NC1CCCC1 | InChi: | InChI=1S/C20H20F3N3O3/c21-15-9-13(10-16(22)17(15)23)11-5-7-12(8-6-11)18(19(27)26-29)25-20(28)24-14-3-1-2-4-14/h5-10,14,18,29H,1-4H2,(H,26,27)(H2,24,25,28)/t18-/m1/s1 | 定義日: | 2022-10-25 | 最終更新日: | 2023-01-13 | 公開日: | 2023-01-18 | 識別子(ID): | (2R)-2-(cyclopentylcarbamamido)-N-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide |
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![X10 X10](https://data.pdbj.org/pdbjplus/data/cc/svg/X10.svg) | X10 | 表記: | N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-N~2~-phenylglycinamide | 組成式: | C22 H18 F3 N3 O3 | SMILES: | Fc1cc(cc(F)c1F)c1ccc(cc1)C(NC(=O)CNc1ccccc1)C(=O)NO | InChi: | InChI=1S/C22H18F3N3O3/c23-17-10-15(11-18(24)20(17)25)13-6-8-14(9-7-13)21(22(30)28-31)27-19(29)12-26-16-4-2-1-3-5-16/h1-11,21,26,31H,12H2,(H,27,29)(H,28,30)/t21-/m1/s1 | 定義日: | 2022-10-25 | 最終更新日: | 2023-01-13 | 公開日: | 2023-01-18 | 識別子(ID): | N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-N~2~-phenylglycinamide |
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![TKR TKR](https://data.pdbj.org/pdbjplus/data/cc/svg/TKR.svg) | TKR | 表記: | [1-[2-oxidanylidene-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-1,2,3-triazolidin-4-yl]methyl hydrogen carbonate | 組成式: | C14 H21 N5 O6 S | SMILES: | N[S](=O)(=O)c1ccc(CCNC(=O)CN2CC(COC(O)=O)NN2)cc1 | InChi: | InChI=1S/C14H21N5O6S/c15-26(23,24)12-3-1-10(2-4-12)5-6-16-13(20)8-19-7-11(17-18-19)9-25-14(21)22/h1-4,11,17-18H,5-9H2,(H,16,20)(H,21,22)(H2,15,23,24) | 定義日: | 2023-01-10 | 最終更新日: | 2023-01-13 | 公開日: | 2023-01-18 | 識別子(ID): | [1-[2-oxidanylidene-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-1,2,3-triazolidin-4-yl]methyl hydrogen carbonate |
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