![SWQ SWQ](https://data.pdbj.org/pdbjplus/data/cc/svg/SWQ.svg) | SWQ | 表記: | 6-(3-methylsulfanylphenyl)sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one | 組成式: | C12 H10 N4 O S2 | SMILES: | CSc1cccc(SC2=NN3C(=O)NN=C3C=C2)c1 | InChi: | InChI=1S/C12H10N4OS2/c1-18-8-3-2-4-9(7-8)19-11-6-5-10-13-14-12(17)16(10)15-11/h2-7H,1H3,(H,14,17) | 定義日: | 2020-12-02 | 最終更新日: | 2022-01-07 | 公開日: | 2022-01-12 | 識別子(ID): | 6-(3-methylsulfanylphenyl)sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one |
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![SWT SWT](https://data.pdbj.org/pdbjplus/data/cc/svg/SWT.svg) | SWT | 表記: | 6-(4-methylphenyl)sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one | 組成式: | C12 H10 N4 O S | SMILES: | Cc1ccc(SC2=NN3C(=O)NN=C3C=C2)cc1 | InChi: | InChI=1S/C12H10N4OS/c1-8-2-4-9(5-3-8)18-11-7-6-10-13-14-12(17)16(10)15-11/h2-7H,1H3,(H,14,17) | 定義日: | 2020-12-02 | 最終更新日: | 2022-01-07 | 公開日: | 2022-01-12 | 識別子(ID): | 6-(4-methylphenyl)sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one |
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![SXQ SXQ](https://data.pdbj.org/pdbjplus/data/cc/svg/SXQ.svg) | SXQ | 表記: | 3-(3,4-dichlorophenyl)sulfanyl-1$l^{4},2,7,8-tetrazabicyclo[4.3.0]nona-1(6),2,4,7-tetraen-9-one | 組成式: | C11 H6 Cl2 N4 O S | SMILES: | Clc1ccc(SC2=NN3C(=O)NN=C3C=C2)cc1Cl | InChi: | InChI=1S/C11H6Cl2N4OS/c12-7-2-1-6(5-8(7)13)19-10-4-3-9-14-15-11(18)17(9)16-10/h1-5H,(H,15,18) | 定義日: | 2020-12-03 | 最終更新日: | 2022-01-07 | 公開日: | 2022-01-12 | 識別子(ID): | 6-(3,4-dichlorophenyl)sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one |
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![T0B T0B](https://data.pdbj.org/pdbjplus/data/cc/svg/T0B.svg) | T0B | 表記: | [(4~{a}~{R},8~{a}~{S})-4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-2,3,4~{a},5,6,7,8,8~{a}-octahydroquinoxalin-1-yl]-(furan-2-yl)methanone | 組成式: | C23 H27 N5 O4 | SMILES: | COc1cc2nc(nc(N)c2cc1OC)N3CCN([CH]4CCCC[CH]34)C(=O)c5occc5 | InChi: | InChI=1S/C23H27N5O4/c1-30-19-12-14-15(13-20(19)31-2)25-23(26-21(14)24)28-10-9-27(16-6-3-4-7-17(16)28)22(29)18-8-5-11-32-18/h5,8,11-13,16-17H,3-4,6-7,9-10H2,1-2H3,(H2,24,25,26)/t16-,17+/m0/s1 | 定義日: | 2020-12-08 | 最終更新日: | 2022-01-07 | 公開日: | 2022-01-12 | 識別子(ID): | [(4~{a}~{R},8~{a}~{S})-4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-2,3,4~{a},5,6,7,8,8~{a}-octahydroquinoxalin-1-yl]-(furan-2-yl)methanone |
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![T1W T1W](https://data.pdbj.org/pdbjplus/data/cc/svg/T1W.svg) | T1W | 表記: | [(2~{S})-2-methylpiperidin-1-yl]-morpholin-4-yl-methanone | 組成式: | C11 H20 N2 O2 | SMILES: | C[CH]1CCCCN1C(=O)N2CCOCC2 | InChi: | InChI=1S/C11H20N2O2/c1-10-4-2-3-5-13(10)11(14)12-6-8-15-9-7-12/h10H,2-9H2,1H3/t10-/m0/s1 | 定義日: | 2020-12-13 | 最終更新日: | 2022-01-07 | 公開日: | 2022-01-12 | 識別子(ID): | [(2~{S})-2-methylpiperidin-1-yl]-morpholin-4-yl-methanone |
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![T1Z T1Z](https://data.pdbj.org/pdbjplus/data/cc/svg/T1Z.svg) | T1Z | 表記: | [1-(3,4-dichlorophenyl)-1,2,3-triazol-4-yl]methanol | 組成式: | C9 H7 Cl2 N3 O | SMILES: | OCc1cn(nn1)c2ccc(Cl)c(Cl)c2 | InChi: | InChI=1S/C9H7Cl2N3O/c10-8-2-1-7(3-9(8)11)14-4-6(5-15)12-13-14/h1-4,15H,5H2 | 定義日: | 2020-12-13 | 最終更新日: | 2022-01-07 | 公開日: | 2022-01-12 | 識別子(ID): | [1-(3,4-dichlorophenyl)-1,2,3-triazol-4-yl]methanol |
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![T2E T2E](https://data.pdbj.org/pdbjplus/data/cc/svg/T2E.svg) | T2E | 表記: | 5-azanyl-2-(pyridin-3-ylmethylamino)benzoic acid | 組成式: | C13 H13 N3 O2 | SMILES: | Nc1ccc(NCc2cccnc2)c(c1)C(O)=O | InChi: | InChI=1S/C13H13N3O2/c14-10-3-4-12(11(6-10)13(17)18)16-8-9-2-1-5-15-7-9/h1-7,16H,8,14H2,(H,17,18) | 定義日: | 2020-12-13 | 最終更新日: | 2022-01-07 | 公開日: | 2022-01-12 | 識別子(ID): | 5-azanyl-2-(pyridin-3-ylmethylamino)benzoic acid |
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![T2H T2H](https://data.pdbj.org/pdbjplus/data/cc/svg/T2H.svg) | T2H | 表記: | 5-(3-ethoxyphenyl)-1,3,4-thiadiazol-2-amine | 組成式: | C10 H11 N3 O S | SMILES: | CCOc1cccc(c1)c2sc(N)nn2 | InChi: | InChI=1S/C10H11N3OS/c1-2-14-8-5-3-4-7(6-8)9-12-13-10(11)15-9/h3-6H,2H2,1H3,(H2,11,13) | 定義日: | 2020-12-13 | 最終更新日: | 2022-01-07 | 公開日: | 2022-01-12 | 識別子(ID): | 5-(3-ethoxyphenyl)-1,3,4-thiadiazol-2-amine |
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![T3N T3N](https://data.pdbj.org/pdbjplus/data/cc/svg/T3N.svg) | T3N | 表記: | 2-(4-acetamidophenoxy)ethanoic acid | 組成式: | C10 H11 N O4 | SMILES: | CC(=O)Nc1ccc(OCC(O)=O)cc1 | InChi: | InChI=1S/C10H11NO4/c1-7(12)11-8-2-4-9(5-3-8)15-6-10(13)14/h2-5H,6H2,1H3,(H,11,12)(H,13,14) | 定義日: | 2020-12-14 | 最終更新日: | 2022-01-07 | 公開日: | 2022-01-12 | 識別子(ID): | 2-(4-acetamidophenoxy)ethanoic acid |
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![T3T T3T](https://data.pdbj.org/pdbjplus/data/cc/svg/T3T.svg) | T3T | 表記: | 1-(1,3-benzodioxol-5-yl)-~{N}-(pyridin-2-ylmethyl)methanamine | 組成式: | C14 H14 N2 O2 | SMILES: | C1Oc2ccc(CNCc3ccccn3)cc2O1 | InChi: | InChI=1S/C14H14N2O2/c1-2-6-16-12(3-1)9-15-8-11-4-5-13-14(7-11)18-10-17-13/h1-7,15H,8-10H2 | 定義日: | 2020-12-14 | 最終更新日: | 2022-01-07 | 公開日: | 2022-01-12 | 識別子(ID): | 1-(1,3-benzodioxol-5-yl)-~{N}-(pyridin-2-ylmethyl)methanamine |
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![6IU 6IU](https://data.pdbj.org/pdbjplus/data/cc/svg/6IU.svg) | 6IU | 表記: | N-(2-acetamidoethyl)-2-nitro-ethanamide | 組成式: | C6 H11 N3 O4 | SMILES: | CC(=O)NCCNC(=O)C[N+]([O-])=O | InChi: | InChI=1S/C6H11N3O4/c1-5(10)7-2-3-8-6(11)4-9(12)13/h2-4H2,1H3,(H,7,10)(H,8,11) | 定義日: | 2021-09-17 | 最終更新日: | 2022-01-07 | 公開日: | 2022-01-12 | 識別子(ID): | ~{N}-(2-acetamidoethyl)-2-nitro-ethanamide |
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![VX8 VX8](https://data.pdbj.org/pdbjplus/data/cc/svg/VX8.svg) | VX8 | 表記: | Lumacaftor | 組成式: | C24 H18 F2 N2 O5 | SMILES: | O=C(O)c1cccc(c1)c1nc(ccc1C)NC(=O)C1(CC1)c1ccc2OC(F)(F)Oc2c1 | InChi: | InChI=1S/C24H18F2N2O5/c1-13-5-8-19(27-20(13)14-3-2-4-15(11-14)21(29)30)28-22(31)23(9-10-23)16-6-7-17-18(12-16)33-24(25,26)32-17/h2-8,11-12H,9-10H2,1H3,(H,29,30)(H,27,28,31) | 別名: | 3-(6-{[1-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl]amino}-3-methylpyridin-2-yl)benzoic acid | 定義日: | 2021-11-20 | 最終更新日: | 2022-01-07 | 公開日: | 2022-01-12 | 識別子(ID): | 3-(6-{[1-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl]amino}-3-methylpyridin-2-yl)benzoic acid |
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![T52 T52](https://data.pdbj.org/pdbjplus/data/cc/svg/T52.svg) | T52 | 表記: | N-{6-[3-(4-Aminobutoxy)-5-propoxyphenoxy]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl}-3,4-dimethoxybenzene-1-sulfonamide | 組成式: | C30 H39 N4 O8 S | SMILES: | CCCOc1cc(OCCCC[NH3+])cc(Oc2cc3N(C)C(=O)N(C)c3cc2N[S](=O)(=O)c4ccc(OC)c(OC)c4)c1 | InChi: | InChI=1S/C30H38N4O8S/c1-6-12-40-20-14-21(41-13-8-7-11-31)16-22(15-20)42-28-19-26-25(33(2)30(35)34(26)3)18-24(28)32-43(36,37)23-9-10-27(38-4)29(17-23)39-5/h9-10,14-19,32H,6-8,11-13,31H2,1-5H3/p+1 | 別名: | ~{N}-[6-[3-(4-azanylbutoxy)-5-propoxy-phenoxy]-1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl]-3,4-dimethoxy-benzenesulfonamide | 定義日: | 2020-12-15 | 最終更新日: | 2022-01-07 | 公開日: | 2022-01-12 | 識別子(ID): | 4-[3-[6-[(3,4-dimethoxyphenyl)sulfonylamino]-1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl]oxy-5-propoxy-phenoxy]butylazanium |
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![T7W T7W](https://data.pdbj.org/pdbjplus/data/cc/svg/T7W.svg) | T7W | 表記: | (R)-3,3-dimethyl-5-oxo-5-(6-(3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl)-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl)pentanoic acid | 組成式: | C20 H22 N6 O4 | SMILES: | CC(C)(CC(O)=O)CC(=O)N1Cc2nc[nH]c2C[CH]1c3onc(n3)c4ccncc4 | InChi: | InChI=1S/C20H22N6O4/c1-20(2,9-17(28)29)8-16(27)26-10-14-13(22-11-23-14)7-15(26)19-24-18(25-30-19)12-3-5-21-6-4-12/h3-6,11,15H,7-10H2,1-2H3,(H,22,23)(H,28,29)/t15-/m1/s1 | 別名: | 3,3-dimethyl-5-oxidanylidene-5-[(6~{R})-6-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pentanoic acid | 定義日: | 2020-12-17 | 最終更新日: | 2022-01-07 | 公開日: | 2022-01-12 | 識別子(ID): | 3,3-dimethyl-5-oxidanylidene-5-[(6~{R})-6-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pentanoic acid |
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![T82 T82](https://data.pdbj.org/pdbjplus/data/cc/svg/T82.svg) | T82 | 表記: | (S,E)-3-(2-(3-bromo-4-hydroxybenzylidene)hydrazineyl)-2-(3-chlorophenyl)-3-oxopropan-1-aminium | 組成式: | C16 H15 Br Cl N3 O2 | SMILES: | NC[CH](C(=O)NN=Cc1ccc(O)c(Br)c1)c2cccc(Cl)c2 | InChi: | InChI=1S/C16H15BrClN3O2/c17-14-6-10(4-5-15(14)22)9-20-21-16(23)13(8-19)11-2-1-3-12(18)7-11/h1-7,9,13,22H,8,19H2,(H,21,23)/b20-9+/t13-/m1/s1 | 別名: | (2~{S})-3-azanyl-~{N}-[(~{E})-(3-bromanyl-4-oxidanyl-phenyl)methylideneamino]-2-(3-chlorophenyl)propanamide | 定義日: | 2020-12-17 | 最終更新日: | 2022-01-07 | 公開日: | 2022-01-12 | 識別子(ID): | (2~{S})-3-azanyl-~{N}-[(~{E})-(3-bromanyl-4-oxidanyl-phenyl)methylideneamino]-2-(3-chlorophenyl)propanamide |
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![T9B T9B](https://data.pdbj.org/pdbjplus/data/cc/svg/T9B.svg) | T9B | 表記: | (2S)-N-(4-Methoxybenzyl)tetrahydrofuran-2-carboxamide | 組成式: | C13 H17 N O3 | SMILES: | COc1ccc(CNC(=O)[CH]2CCCO2)cc1 | InChi: | InChI=1S/C13H17NO3/c1-16-11-6-4-10(5-7-11)9-14-13(15)12-3-2-8-17-12/h4-7,12H,2-3,8-9H2,1H3,(H,14,15)/t12-/m0/s1 | 別名: | (2~{S})-~{N}-[(4-methoxyphenyl)methyl]oxolane-2-carboxamide | 定義日: | 2020-12-20 | 最終更新日: | 2022-01-07 | 公開日: | 2022-01-12 | 識別子(ID): | (2~{S})-~{N}-[(4-methoxyphenyl)methyl]oxolane-2-carboxamide |
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![T9K T9K](https://data.pdbj.org/pdbjplus/data/cc/svg/T9K.svg) | T9K | 表記: | methyl 2-(4-cyanophenoxy)ethanoate | 組成式: | C10 H9 N O3 | SMILES: | COC(=O)COc1ccc(cc1)C#N | InChi: | InChI=1S/C10H9NO3/c1-13-10(12)7-14-9-4-2-8(6-11)3-5-9/h2-5H,7H2,1H3 | 別名: | methyl 2-(4-cyanophenoxy)acetate | 定義日: | 2020-12-20 | 最終更新日: | 2022-01-07 | 公開日: | 2022-01-12 | 識別子(ID): | methyl 2-(4-cyanophenoxy)ethanoate |
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![T9Q T9Q](https://data.pdbj.org/pdbjplus/data/cc/svg/T9Q.svg) | T9Q | 表記: | N-Benzyl-2-methoxyacetamide | 組成式: | C10 H13 N O2 | SMILES: | COCC(=O)NCc1ccccc1 | InChi: | InChI=1S/C10H13NO2/c1-13-8-10(12)11-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,11,12) | 別名: | 2-methoxy-~{N}-(phenylmethyl)ethanamide | 定義日: | 2020-12-20 | 最終更新日: | 2022-01-07 | 公開日: | 2022-01-12 | 識別子(ID): | 2-methoxy-~{N}-(phenylmethyl)ethanamide |
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![T9W T9W](https://data.pdbj.org/pdbjplus/data/cc/svg/T9W.svg) | T9W | 表記: | 2-[4-(2,5-Dioxopyrrolidin-1-yl)phenoxy]acetate | 組成式: | C12 H10 N O5 | SMILES: | [O-]C(=O)COc1ccc(cc1)N2C(=O)CCC2=O | InChi: | InChI=1S/C12H11NO5/c14-10-5-6-11(15)13(10)8-1-3-9(4-2-8)18-7-12(16)17/h1-4H,5-7H2,(H,16,17)/p-1 | 別名: | 2-[4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]phenoxy]ethanoic acid | 定義日: | 2020-12-20 | 最終更新日: | 2022-01-07 | 公開日: | 2022-01-12 | 識別子(ID): | 2-[4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]phenoxy]ethanoate |
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![T9Z T9Z](https://data.pdbj.org/pdbjplus/data/cc/svg/T9Z.svg) | T9Z | 表記: | 2-(morpholin-4-ium-4-ylmethyl)naphthalen-1-ol | 組成式: | C15 H18 N O2 | SMILES: | Oc1c(C[NH+]2CCOCC2)ccc3ccccc13 | InChi: | InChI=1S/C15H17NO2/c17-15-13(11-16-7-9-18-10-8-16)6-5-12-3-1-2-4-14(12)15/h1-6,17H,7-11H2/p+1 | 定義日: | 2020-12-20 | 最終更新日: | 2022-01-07 | 公開日: | 2022-01-12 | 識別子(ID): | 2-(morpholin-4-ium-4-ylmethyl)naphthalen-1-ol |
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![TAH TAH](https://data.pdbj.org/pdbjplus/data/cc/svg/TAH.svg) | TAH | 表記: | 2-(benzyloxy)benzohydrazide | 組成式: | C14 H14 N2 O2 | SMILES: | NNC(=O)c1ccccc1OCc2ccccc2 | InChi: | InChI=1S/C14H14N2O2/c15-16-14(17)12-8-4-5-9-13(12)18-10-11-6-2-1-3-7-11/h1-9H,10,15H2,(H,16,17) | 別名: | 2-phenylmethoxybenzohydrazide | 定義日: | 2020-12-20 | 最終更新日: | 2022-01-07 | 公開日: | 2022-01-12 | 識別子(ID): | 2-phenylmethoxybenzohydrazide |
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![TB5 TB5](https://data.pdbj.org/pdbjplus/data/cc/svg/TB5.svg) | TB5 | 表記: | 4-(4-pyrrol-1-ylphenyl)morpholine | 組成式: | C14 H16 N2 O | SMILES: | C1CN(CCO1)c2ccc(cc2)n3cccc3 | InChi: | InChI=1S/C14H16N2O/c1-2-8-15(7-1)13-3-5-14(6-4-13)16-9-11-17-12-10-16/h1-8H,9-12H2 | 別名: | 4-[4-(1H-pyrrol-1-yl)phenyl]morpholine | 定義日: | 2020-12-20 | 最終更新日: | 2022-01-07 | 公開日: | 2022-01-12 | 識別子(ID): | 4-(4-pyrrol-1-ylphenyl)morpholine |
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![TE5 TE5](https://data.pdbj.org/pdbjplus/data/cc/svg/TE5.svg) | TE5 | 表記: | 4-methoxy-6-phenyl-pyrimidin-2-amine | 組成式: | C11 H11 N3 O | SMILES: | COc1cc(nc(N)n1)c2ccccc2 | InChi: | InChI=1S/C11H11N3O/c1-15-10-7-9(13-11(12)14-10)8-5-3-2-4-6-8/h2-7H,1H3,(H2,12,13,14) | 別名: | 4-methoxy-6-phenylpyrimidin-2-ylamine | 定義日: | 2020-12-21 | 最終更新日: | 2022-01-07 | 公開日: | 2022-01-12 | 識別子(ID): | 4-methoxy-6-phenyl-pyrimidin-2-amine |
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![TE8 TE8](https://data.pdbj.org/pdbjplus/data/cc/svg/TE8.svg) | TE8 | 表記: | (2~{R})-2-(4-phenylphenoxy)propanoic acid | 組成式: | C15 H14 O3 | SMILES: | C[CH](Oc1ccc(cc1)c2ccccc2)C(O)=O | InChi: | InChI=1S/C15H14O3/c1-11(15(16)17)18-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11H,1H3,(H,16,17)/t11-/m1/s1 | 定義日: | 2020-12-21 | 最終更新日: | 2022-01-07 | 公開日: | 2022-01-12 | 識別子(ID): | (2~{R})-2-(4-phenylphenoxy)propanoic acid |
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![TEH TEH](https://data.pdbj.org/pdbjplus/data/cc/svg/TEH.svg) | TEH | 表記: | 4-(2-phenoxyethanoyl)piperazin-2-one | 組成式: | C12 H14 N2 O3 | SMILES: | O=C1CN(CCN1)C(=O)COc2ccccc2 | InChi: | InChI=1S/C12H14N2O3/c15-11-8-14(7-6-13-11)12(16)9-17-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,13,15) | 定義日: | 2020-12-21 | 最終更新日: | 2022-01-07 | 公開日: | 2022-01-12 | 識別子(ID): | 4-(2-phenoxyethanoyl)piperazin-2-one |
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