![IY8 IY8](https://data.pdbj.org/pdbjplus/data/cc/svg/IY8.svg) | IY8 | 表記: | methoxy-[(~{E},3~{R})-3-[(2~{R})-1-methoxy-1,3-bis(oxidanylidene)butan-2-yl]tridec-11-enyl]phosphinous acid | 組成式: | C19 H35 O6 P | SMILES: | COC(=O)[CH]([CH](CCCCCCCC=CC)CC[P](O)(=O)OC)C(C)=O | InChi: | InChI=1S/C19H35O6P/c1-5-6-7-8-9-10-11-12-13-17(14-15-26(22,23)25-4)18(16(2)20)19(21)24-3/h5-6,17-18H,7-15H2,1-4H3,(H,22,23)/b6-5+/t17-,18+/m1/s1 | 定義日: | 2022-04-20 | 最終更新日: | 2022-09-23 | 公開日: | 2022-09-28 | 識別子(ID): | methoxy-[(~{E},3~{R})-3-[(2~{R})-1-methoxy-1,3-bis(oxidanylidene)butan-2-yl]tridec-11-enyl]phosphinic acid |
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![IYB IYB](https://data.pdbj.org/pdbjplus/data/cc/svg/IYB.svg) | IYB | 表記: | undecyl dihydrogen phosphate | 組成式: | C11 H25 O4 P | SMILES: | CCCCCCCCCCCO[P](O)(O)=O | InChi: | InChI=1S/C11H25O4P/c1-2-3-4-5-6-7-8-9-10-11-15-16(12,13)14/h2-11H2,1H3,(H2,12,13,14) | 定義日: | 2022-04-20 | 最終更新日: | 2022-09-23 | 公開日: | 2022-09-28 | 識別子(ID): | undecyl dihydrogen phosphate |
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![8FI 8FI](https://data.pdbj.org/pdbjplus/data/cc/svg/8FI.svg) | 8FI | 表記: | 2-{[2-(2H-indazol-3-yl)ethyl]amino}-5-(trifluoromethyl)benzoic acid | 組成式: | C17 H14 F3 N3 O2 | SMILES: | FC(F)(F)c1ccc(NCCc2[NH]nc3ccccc23)c(c1)C(=O)O | InChi: | InChI=1S/C17H14F3N3O2/c18-17(19,20)10-5-6-13(12(9-10)16(24)25)21-8-7-15-11-3-1-2-4-14(11)22-23-15/h1-6,9,21H,7-8H2,(H,22,23)(H,24,25) | 定義日: | 2021-09-16 | 最終更新日: | 2022-09-23 | 公開日: | 2022-09-28 | 識別子(ID): | 2-{[2-(2H-indazol-3-yl)ethyl]amino}-5-(trifluoromethyl)benzoic acid |
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![8IL 8IL](https://data.pdbj.org/pdbjplus/data/cc/svg/8IL.svg) | 8IL | 表記: | 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-(trifluoromethyl)benzoic acid | 組成式: | C18 H15 F3 N2 O2 | SMILES: | FC(F)(F)c1ccc(NCCc2c[NH]c3ccccc32)c(c1)C(=O)O | InChi: | InChI=1S/C18H15F3N2O2/c19-18(20,21)12-5-6-16(14(9-12)17(24)25)22-8-7-11-10-23-15-4-2-1-3-13(11)15/h1-6,9-10,22-23H,7-8H2,(H,24,25) | 定義日: | 2021-09-20 | 最終更新日: | 2022-09-23 | 公開日: | 2022-09-28 | 識別子(ID): | 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-(trifluoromethyl)benzoic acid |
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![8IQ 8IQ](https://data.pdbj.org/pdbjplus/data/cc/svg/8IQ.svg) | 8IQ | 表記: | 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-(trifluoromethoxy)benzoic acid | 組成式: | C18 H15 F3 N2 O3 | SMILES: | FC(F)(F)Oc1ccc(NCCc2c[NH]c3ccccc32)c(c1)C(=O)O | InChi: | InChI=1S/C18H15F3N2O3/c19-18(20,21)26-12-5-6-16(14(9-12)17(24)25)22-8-7-11-10-23-15-4-2-1-3-13(11)15/h1-6,9-10,22-23H,7-8H2,(H,24,25) | 定義日: | 2021-09-20 | 最終更新日: | 2022-09-23 | 公開日: | 2022-09-28 | 識別子(ID): | 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-(trifluoromethoxy)benzoic acid |
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![FI5 FI5](https://data.pdbj.org/pdbjplus/data/cc/svg/FI5.svg) | FI5 | 表記: | 4-piperidin-4-yloxypyridine-2-carboxamide | 組成式: | C11 H15 N3 O2 | SMILES: | NC(=O)c1cc(OC2CCNCC2)ccn1 | InChi: | InChI=1S/C11H15N3O2/c12-11(15)10-7-9(3-6-14-10)16-8-1-4-13-5-2-8/h3,6-8,13H,1-2,4-5H2,(H2,12,15) | 定義日: | 2022-01-24 | 最終更新日: | 2022-09-23 | 公開日: | 2022-09-28 | 識別子(ID): | 4-piperidin-4-yloxypyridine-2-carboxamide |
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![FI9 FI9](https://data.pdbj.org/pdbjplus/data/cc/svg/FI9.svg) | FI9 | 表記: | 5-(4-azanylpiperidin-1-yl)carbonyl-1~{H}-pyridin-2-one | 組成式: | C11 H15 N3 O2 | SMILES: | NC1CCN(CC1)C(=O)C2=CNC(=O)C=C2 | InChi: | InChI=1S/C11H15N3O2/c12-9-3-5-14(6-4-9)11(16)8-1-2-10(15)13-7-8/h1-2,7,9H,3-6,12H2,(H,13,15) | 定義日: | 2022-01-24 | 最終更新日: | 2022-09-23 | 公開日: | 2022-09-28 | 識別子(ID): | 5-(4-azanylpiperidin-1-yl)carbonyl-1~{H}-pyridin-2-one |
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![FIY FIY](https://data.pdbj.org/pdbjplus/data/cc/svg/FIY.svg) | FIY | 表記: | 2-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]guanidine | 組成式: | C13 H17 N5 O S | SMILES: | CCc1c([nH]c(C)c1C(C)=O)c2csc(N=C(N)N)n2 | InChi: | InChI=1S/C13H17N5OS/c1-4-8-10(7(3)19)6(2)16-11(8)9-5-20-13(17-9)18-12(14)15/h5,16H,4H2,1-3H3,(H4,14,15,17,18) | 定義日: | 2022-01-24 | 最終更新日: | 2022-09-23 | 公開日: | 2022-09-28 | 識別子(ID): | 2-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]guanidine |
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![GEJ GEJ](https://data.pdbj.org/pdbjplus/data/cc/svg/GEJ.svg) | GEJ | 表記: | (2R)-1-[4-(4-ethanoyl-3-ethyl-5-methyl-1H-pyrrol-2-yl)-1,3-thiazol-2-yl]-N-[2-(1,2-oxazol-5-yl)ethyl]piperazine-2-carboxamide | 組成式: | C22 H28 N6 O3 S | SMILES: | CCc1c([nH]c(C)c1C(C)=O)c2csc(n2)N3CCNC[CH]3C(=O)NCCc4oncc4 | InChi: | InChI=1S/C22H28N6O3S/c1-4-16-19(14(3)29)13(2)26-20(16)17-12-32-22(27-17)28-10-9-23-11-18(28)21(30)24-7-5-15-6-8-25-31-15/h6,8,12,18,23,26H,4-5,7,9-11H2,1-3H3,(H,24,30)/t18-/m1/s1 | 定義日: | 2022-02-02 | 最終更新日: | 2022-09-23 | 公開日: | 2022-09-28 | 識別子(ID): | (2~{R})-1-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]-~{N}-[2-(1,2-oxazol-5-yl)ethyl]piperazine-2-carboxamide |
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![GGQ GGQ](https://data.pdbj.org/pdbjplus/data/cc/svg/GGQ.svg) | GGQ | 表記: | 1-[2-methyl-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-4-[3,3,3-tris(fluoranyl)propyl]-1~{H}-pyrrol-3-yl]ethanone | 組成式: | C17 H21 F3 N4 O S | SMILES: | CC(=O)c1c(C)[nH]c(c1CCC(F)(F)F)c2csc(n2)N3CCNCC3 | InChi: | InChI=1S/C17H21F3N4OS/c1-10-14(11(2)25)12(3-4-17(18,19)20)15(22-10)13-9-26-16(23-13)24-7-5-21-6-8-24/h9,21-22H,3-8H2,1-2H3 | 定義日: | 2022-02-02 | 最終更新日: | 2022-09-23 | 公開日: | 2022-09-28 | 識別子(ID): | 1-[2-methyl-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-4-[3,3,3-tris(fluoranyl)propyl]-1~{H}-pyrrol-3-yl]ethanone |
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![GHL GHL](https://data.pdbj.org/pdbjplus/data/cc/svg/GHL.svg) | GHL | 表記: | (2~{R})-~{N}-(2,2-dimethylpropyl)-1-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]piperazine-2-carboxamide | 組成式: | C22 H33 N5 O2 S | SMILES: | CCc1c([nH]c(C)c1C(C)=O)c2csc(n2)N3CCNC[CH]3C(=O)NCC(C)(C)C | InChi: | InChI=1S/C22H33N5O2S/c1-7-15-18(14(3)28)13(2)25-19(15)16-11-30-21(26-16)27-9-8-23-10-17(27)20(29)24-12-22(4,5)6/h11,17,23,25H,7-10,12H2,1-6H3,(H,24,29)/t17-/m1/s1 | 定義日: | 2022-02-03 | 最終更新日: | 2022-09-23 | 公開日: | 2022-09-28 | 識別子(ID): | (2~{R})-~{N}-(2,2-dimethylpropyl)-1-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]piperazine-2-carboxamide |
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![GI0 GI0](https://data.pdbj.org/pdbjplus/data/cc/svg/GI0.svg) | GI0 | 表記: | 3-methyl-1-[2-[4-[(4-methyl-1~{H}-pyrazol-3-yl)methyl]piperazin-1-yl]-1,3-thiazol-4-yl]-2,5,6,7-tetrahydroisoindol-4-one | 組成式: | C21 H26 N6 O S | SMILES: | Cc1[nH]c(c2CCCC(=O)c12)c3csc(n3)N4CCN(CC4)Cc5n[nH]cc5C | InChi: | InChI=1S/C21H26N6OS/c1-13-10-22-25-16(13)11-26-6-8-27(9-7-26)21-24-17(12-29-21)20-15-4-3-5-18(28)19(15)14(2)23-20/h10,12,23H,3-9,11H2,1-2H3,(H,22,25) | 定義日: | 2022-02-03 | 最終更新日: | 2022-09-23 | 公開日: | 2022-09-28 | 識別子(ID): | 3-methyl-1-[2-[4-[(4-methyl-1~{H}-pyrazol-3-yl)methyl]piperazin-1-yl]-1,3-thiazol-4-yl]-2,5,6,7-tetrahydroisoindol-4-one |
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![GI7 GI7](https://data.pdbj.org/pdbjplus/data/cc/svg/GI7.svg) | GI7 | 表記: | 1-[4-(4-ethanoylpiperazin-1-yl)phenyl]guanidine | 組成式: | C13 H19 N5 O | SMILES: | CC(=O)N1CCN(CC1)c2ccc(NC(N)=N)cc2 | InChi: | InChI=1S/C13H19N5O/c1-10(19)17-6-8-18(9-7-17)12-4-2-11(3-5-12)16-13(14)15/h2-5H,6-9H2,1H3,(H4,14,15,16) | 定義日: | 2022-02-03 | 最終更新日: | 2022-09-23 | 公開日: | 2022-09-28 | 識別子(ID): | 1-[4-(4-ethanoylpiperazin-1-yl)phenyl]guanidine |
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![GIE GIE](https://data.pdbj.org/pdbjplus/data/cc/svg/GIE.svg) | GIE | 表記: | 1-[4-ethyl-2-methyl-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-1~{H}-pyrrol-3-yl]ethanone | 組成式: | C16 H22 N4 O S | SMILES: | CCc1c([nH]c(C)c1C(C)=O)c2csc(n2)N3CCNCC3 | InChi: | InChI=1S/C16H22N4OS/c1-4-12-14(11(3)21)10(2)18-15(12)13-9-22-16(19-13)20-7-5-17-6-8-20/h9,17-18H,4-8H2,1-3H3 | 定義日: | 2022-02-03 | 最終更新日: | 2022-09-23 | 公開日: | 2022-09-28 | 識別子(ID): | 1-[4-ethyl-2-methyl-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-1~{H}-pyrrol-3-yl]ethanone |
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![GIJ GIJ](https://data.pdbj.org/pdbjplus/data/cc/svg/GIJ.svg) | GIJ | 表記: | (2~{R})-1-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]piperazine-2-carboxamide | 組成式: | C20 H26 F3 N5 O2 S | SMILES: | CCc1c([nH]c(C)c1C(C)=O)c2csc(n2)N3CCNC[CH]3C(=O)NCCC(F)(F)F | InChi: | InChI=1S/C20H26F3N5O2S/c1-4-13-16(12(3)29)11(2)26-17(13)14-10-31-19(27-14)28-8-7-24-9-15(28)18(30)25-6-5-20(21,22)23/h10,15,24,26H,4-9H2,1-3H3,(H,25,30)/t15-/m1/s1 | 定義日: | 2022-02-03 | 最終更新日: | 2022-09-23 | 公開日: | 2022-09-28 | 識別子(ID): | (2~{R})-1-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]piperazine-2-carboxamide |
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![GIU GIU](https://data.pdbj.org/pdbjplus/data/cc/svg/GIU.svg) | GIU | 表記: | ~{N}-[(3~{S})-pyrrolidin-3-yl]isoquinoline-5-sulfonamide | 組成式: | C13 H15 N3 O2 S | SMILES: | O=[S](=O)(N[CH]1CCNC1)c2cccc3cnccc23 | InChi: | InChI=1S/C13H15N3O2S/c17-19(18,16-11-4-6-15-9-11)13-3-1-2-10-8-14-7-5-12(10)13/h1-3,5,7-8,11,15-16H,4,6,9H2/t11-/m0/s1 | 定義日: | 2022-02-03 | 最終更新日: | 2022-09-23 | 公開日: | 2022-09-28 | 識別子(ID): | ~{N}-[(3~{S})-pyrrolidin-3-yl]isoquinoline-5-sulfonamide |
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![GIZ GIZ](https://data.pdbj.org/pdbjplus/data/cc/svg/GIZ.svg) | GIZ | 表記: | 1-[4-ethyl-5-[2-[4-[(1-ethylpiperidin-4-yl)methyl]piperazin-1-yl]-1,3-thiazol-4-yl]-2-methyl-1~{H}-pyrrol-3-yl]ethanone | 組成式: | C24 H37 N5 O S | SMILES: | CCN1CCC(CC1)CN2CCN(CC2)c3scc(n3)c4[nH]c(C)c(C(C)=O)c4CC | InChi: | InChI=1S/C24H37N5OS/c1-5-20-22(18(4)30)17(3)25-23(20)21-16-31-24(26-21)29-13-11-28(12-14-29)15-19-7-9-27(6-2)10-8-19/h16,19,25H,5-15H2,1-4H3 | 定義日: | 2022-02-03 | 最終更新日: | 2022-09-23 | 公開日: | 2022-09-28 | 識別子(ID): | 1-[4-ethyl-5-[2-[4-[(1-ethylpiperidin-4-yl)methyl]piperazin-1-yl]-1,3-thiazol-4-yl]-2-methyl-1~{H}-pyrrol-3-yl]ethanone |
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![GJ4 GJ4](https://data.pdbj.org/pdbjplus/data/cc/svg/GJ4.svg) | GJ4 | 表記: | (2~{R})-1-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]-~{N}-(4-oxidanylbutyl)piperazine-2-carboxamide | 組成式: | C21 H31 N5 O3 S | SMILES: | CCc1c([nH]c(C)c1C(C)=O)c2csc(n2)N3CCNC[CH]3C(=O)NCCCCO | InChi: | InChI=1S/C21H31N5O3S/c1-4-15-18(14(3)28)13(2)24-19(15)16-12-30-21(25-16)26-9-8-22-11-17(26)20(29)23-7-5-6-10-27/h12,17,22,24,27H,4-11H2,1-3H3,(H,23,29)/t17-/m1/s1 | 定義日: | 2022-02-03 | 最終更新日: | 2022-09-23 | 公開日: | 2022-09-28 | 識別子(ID): | (2~{R})-1-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]-~{N}-(4-oxidanylbutyl)piperazine-2-carboxamide |
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![GJC GJC](https://data.pdbj.org/pdbjplus/data/cc/svg/GJC.svg) | GJC | 表記: | 2-[4-[[4-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]methyl]-1,2,3-triazol-1-yl]ethanamide | 組成式: | C21 H28 N8 O2 S | SMILES: | CCc1c([nH]c(C)c1C(C)=O)c2csc(n2)N3CCN(CC3)Cc4cn(CC(N)=O)nn4 | InChi: | InChI=1S/C21H28N8O2S/c1-4-16-19(14(3)30)13(2)23-20(16)17-12-32-21(24-17)28-7-5-27(6-8-28)9-15-10-29(26-25-15)11-18(22)31/h10,12,23H,4-9,11H2,1-3H3,(H2,22,31) | 定義日: | 2022-02-03 | 最終更新日: | 2022-09-23 | 公開日: | 2022-09-28 | 識別子(ID): | 2-[4-[[4-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]piperazin-1-yl]methyl]-1,2,3-triazol-1-yl]ethanamide |
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![GJI GJI](https://data.pdbj.org/pdbjplus/data/cc/svg/GJI.svg) | GJI | 表記: | 3-methyl-1-(2-piperazin-1-yl-1,3-thiazol-4-yl)-2,5,6,7-tetrahydroisoindol-4-one | 組成式: | C16 H20 N4 O S | SMILES: | Cc1[nH]c(c2CCCC(=O)c12)c3csc(n3)N4CCNCC4 | InChi: | InChI=1S/C16H20N4OS/c1-10-14-11(3-2-4-13(14)21)15(18-10)12-9-22-16(19-12)20-7-5-17-6-8-20/h9,17-18H,2-8H2,1H3 | 定義日: | 2022-02-03 | 最終更新日: | 2022-09-23 | 公開日: | 2022-09-28 | 識別子(ID): | 3-methyl-1-(2-piperazin-1-yl-1,3-thiazol-4-yl)-2,5,6,7-tetrahydroisoindol-4-one |
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![GKI GKI](https://data.pdbj.org/pdbjplus/data/cc/svg/GKI.svg) | GKI | 表記: | 1-[2-methyl-4-(3-methylbutyl)-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-1~{H}-pyrrol-3-yl]ethanone | 組成式: | C19 H28 N4 O S | SMILES: | CC(C)CCc1c([nH]c(C)c1C(C)=O)c2csc(n2)N3CCNCC3 | InChi: | InChI=1S/C19H28N4OS/c1-12(2)5-6-15-17(14(4)24)13(3)21-18(15)16-11-25-19(22-16)23-9-7-20-8-10-23/h11-12,20-21H,5-10H2,1-4H3 | 定義日: | 2022-02-03 | 最終更新日: | 2022-09-23 | 公開日: | 2022-09-28 | 識別子(ID): | 1-[2-methyl-4-(3-methylbutyl)-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-1~{H}-pyrrol-3-yl]ethanone |
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![GQF GQF](https://data.pdbj.org/pdbjplus/data/cc/svg/GQF.svg) | GQF | 表記: | 1-[4-cyclopentyl-2-methyl-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-1~{H}-pyrrol-3-yl]ethanone | 組成式: | C19 H26 N4 O S | SMILES: | CC(=O)c1c(C)[nH]c(c2csc(n2)N3CCNCC3)c1C4CCCC4 | InChi: | InChI=1S/C19H26N4OS/c1-12-16(13(2)24)17(14-5-3-4-6-14)18(21-12)15-11-25-19(22-15)23-9-7-20-8-10-23/h11,14,20-21H,3-10H2,1-2H3 | 定義日: | 2022-02-03 | 最終更新日: | 2022-09-23 | 公開日: | 2022-09-28 | 識別子(ID): | 1-[4-cyclopentyl-2-methyl-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-1~{H}-pyrrol-3-yl]ethanone |
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![GQX GQX](https://data.pdbj.org/pdbjplus/data/cc/svg/GQX.svg) | GQX | 表記: | 2-[4-(3-methyl-4-oxidanylidene-2,5,6,7-tetrahydroisoindol-1-yl)-1,3-thiazol-2-yl]guanidine | 組成式: | C13 H15 N5 O S | SMILES: | Cc1[nH]c(c2CCCC(=O)c12)c3csc(N=C(N)N)n3 | InChi: | InChI=1S/C13H15N5OS/c1-6-10-7(3-2-4-9(10)19)11(16-6)8-5-20-13(17-8)18-12(14)15/h5,16H,2-4H2,1H3,(H4,14,15,17,18) | 定義日: | 2022-02-03 | 最終更新日: | 2022-09-23 | 公開日: | 2022-09-28 | 識別子(ID): | 2-[4-(3-methyl-4-oxidanylidene-2,5,6,7-tetrahydroisoindol-1-yl)-1,3-thiazol-2-yl]guanidine |
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![JRP JRP](https://data.pdbj.org/pdbjplus/data/cc/svg/JRP.svg) | JRP | 表記: | (1~{R},10~{R},12~{S})-15-oxa-8-azatetracyclo[8.5.0.0^{1,12}.0^{2,7}]pentadeca-2(7),3,5-trien-9-one | 組成式: | C13 H13 N O2 | SMILES: | O=C1Nc2ccccc2[C]34OCC[CH]3C[CH]14 | InChi: | InChI=1S/C13H13NO2/c15-12-10-7-8-5-6-16-13(8,10)9-3-1-2-4-11(9)14-12/h1-4,8,10H,5-7H2,(H,14,15)/t8-,10+,13+/m1/s1 | 別名: | (3aS,4aR,10bR)-3,3a,4,4a-tetrahydro-2H-furo[2',3':2,3]cyclobuta[1,2-c]quinolin-5(6H)-one | 定義日: | 2022-05-09 | 最終更新日: | 2022-09-23 | 公開日: | 2022-09-28 | 識別子(ID): | (1~{R},10~{R},12~{S})-15-oxa-8-azatetracyclo[8.5.0.0^{1,12}.0^{2,7}]pentadeca-2(7),3,5-trien-9-one |
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![I1A I1A](https://data.pdbj.org/pdbjplus/data/cc/svg/I1A.svg) | I1A | 表記: | dimethyl 2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]methyl]-2-prop-2-enyl-propanedioate | 組成式: | C23 H29 N O6 | SMILES: | COC(=O)C(CC=C)(Cc1c(C)n(C(=O)OC(C)(C)C)c2ccccc12)C(=O)OC | InChi: | InChI=1S/C23H29NO6/c1-8-13-23(19(25)28-6,20(26)29-7)14-17-15(2)24(21(27)30-22(3,4)5)18-12-10-9-11-16(17)18/h8-12H,1,13-14H2,2-7H3 | 定義日: | 2022-05-30 | 最終更新日: | 2022-09-23 | 公開日: | 2022-09-28 | 識別子(ID): | dimethyl 2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]methyl]-2-prop-2-enyl-propanedioate |
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