![SVU SVU](https://data.pdbj.org/pdbjplus/data/cc/svg/SVU.svg) | SVU | 表記: | 1-(1-ethyl-1H-pyrazol-3-yl)-N-methylmethanamine | 組成式: | C7 H13 N3 | SMILES: | CCn1ccc(CNC)n1 | InChi: | InChI=1S/C7H13N3/c1-3-10-5-4-7(9-10)6-8-2/h4-5,8H,3,6H2,1-2H3 | 定義日: | 2023-08-28 | 最終更新日: | 2023-11-24 | 公開日: | 2023-11-29 | 識別子(ID): | 1-(1-ethyl-1H-pyrazol-3-yl)-N-methylmethanamine |
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![SW9 SW9](https://data.pdbj.org/pdbjplus/data/cc/svg/SW9.svg) | SW9 | 表記: | 4-{[(1M)-buta-1,2-dien-1-yl](methyl)amino}-1lambda~6~-thiane-1,1-dione | 組成式: | C10 H17 N O2 S | SMILES: | O=S1(=O)CCC(CC1)N(C)C=C=CC | InChi: | InChI=1S/C10H17NO2S/c1-3-4-7-11(2)10-5-8-14(12,13)9-6-10/h3,7,10H,5-6,8-9H2,1-2H3 | 定義日: | 2023-08-28 | 最終更新日: | 2023-11-24 | 公開日: | 2023-11-29 | 識別子(ID): | 4-{[(1M)-buta-1,2-dien-1-yl](methyl)amino}-1lambda~6~-thiane-1,1-dione |
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![SX9 SX9](https://data.pdbj.org/pdbjplus/data/cc/svg/SX9.svg) | SX9 | 表記: | 1-{4-[(1E)-3-phenylprop-1-en-1-yl]piperazin-1-yl}ethan-1-one | 組成式: | C15 H20 N2 O | SMILES: | O=C(C)N1CCN(/C=C/Cc2ccccc2)CC1 | InChi: | InChI=1S/C15H20N2O/c1-14(18)17-12-10-16(11-13-17)9-5-8-15-6-3-2-4-7-15/h2-7,9H,8,10-13H2,1H3/b9-5+ | 定義日: | 2023-08-28 | 最終更新日: | 2023-11-24 | 公開日: | 2023-11-29 | 識別子(ID): | 1-{4-[(1E)-3-phenylprop-1-en-1-yl]piperazin-1-yl}ethan-1-one |
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![SY3 SY3](https://data.pdbj.org/pdbjplus/data/cc/svg/SY3.svg) | SY3 | 表記: | N-(5-fluoro-2-methylphenyl)pyridine-4-carboxamide | 組成式: | C13 H11 F N2 O | SMILES: | O=C(Nc1cc(F)ccc1C)c1ccncc1 | InChi: | InChI=1S/C13H11FN2O/c1-9-2-3-11(14)8-12(9)16-13(17)10-4-6-15-7-5-10/h2-8H,1H3,(H,16,17) | 定義日: | 2023-08-28 | 最終更新日: | 2023-11-24 | 公開日: | 2023-11-29 | 識別子(ID): | N-(5-fluoro-2-methylphenyl)pyridine-4-carboxamide |
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![SYX SYX](https://data.pdbj.org/pdbjplus/data/cc/svg/SYX.svg) | SYX | 表記: | (4-methylpiperazin-1-yl)[(2R)-oxolan-2-yl]methanone | 組成式: | C10 H18 N2 O2 | SMILES: | O=C(N1CCN(C)CC1)C1CCCO1 | InChi: | InChI=1S/C10H18N2O2/c1-11-4-6-12(7-5-11)10(13)9-3-2-8-14-9/h9H,2-8H2,1H3/t9-/m1/s1 | 定義日: | 2023-08-28 | 最終更新日: | 2023-11-24 | 公開日: | 2023-11-29 | 識別子(ID): | (4-methylpiperazin-1-yl)[(2R)-oxolan-2-yl]methanone |
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![SZX SZX](https://data.pdbj.org/pdbjplus/data/cc/svg/SZX.svg) | SZX | 表記: | (2R)-N-(pyridin-2-yl)-1,4-dioxane-2-carboxamide | 組成式: | C10 H12 N2 O3 | SMILES: | O=C(Nc1ccccn1)C1COCCO1 | InChi: | InChI=1S/C10H12N2O3/c13-10(8-7-14-5-6-15-8)12-9-3-1-2-4-11-9/h1-4,8H,5-7H2,(H,11,12,13)/t8-/m1/s1 | 定義日: | 2023-08-28 | 最終更新日: | 2023-11-24 | 公開日: | 2023-11-29 | 識別子(ID): | (2R)-N-(pyridin-2-yl)-1,4-dioxane-2-carboxamide |
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![T0O T0O](https://data.pdbj.org/pdbjplus/data/cc/svg/T0O.svg) | T0O | 表記: | 5-chloro-1H-imidazole | 組成式: | C3 H3 Cl N2 | SMILES: | Clc1cnc[NH]1 | InChi: | InChI=1S/C3H3ClN2/c4-3-1-5-2-6-3/h1-2H,(H,5,6) | 定義日: | 2023-08-28 | 最終更新日: | 2023-11-24 | 公開日: | 2023-11-29 | 識別子(ID): | 5-chloro-1H-imidazole |
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![T1U T1U](https://data.pdbj.org/pdbjplus/data/cc/svg/T1U.svg) | T1U | 表記: | (1-methyl-1H-benzimidazol-2-yl)methanol | 組成式: | C9 H10 N2 O | SMILES: | OCc1nc2ccccc2n1C | InChi: | InChI=1S/C9H10N2O/c1-11-8-5-3-2-4-7(8)10-9(11)6-12/h2-5,12H,6H2,1H3 | 定義日: | 2023-08-28 | 最終更新日: | 2023-11-24 | 公開日: | 2023-11-29 | 識別子(ID): | (1-methyl-1H-benzimidazol-2-yl)methanol |
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![T2U T2U](https://data.pdbj.org/pdbjplus/data/cc/svg/T2U.svg) | T2U | 表記: | 2-chloro-1,3-benzoxazole | 組成式: | C7 H4 Cl N O | SMILES: | Clc1nc2ccccc2o1 | InChi: | InChI=1S/C7H4ClNO/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H | 定義日: | 2023-08-28 | 最終更新日: | 2023-11-24 | 公開日: | 2023-11-29 | 識別子(ID): | 2-chloro-1,3-benzoxazole |
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![UO6 UO6](https://data.pdbj.org/pdbjplus/data/cc/svg/UO6.svg) | UO6 | 表記: | 4-[(E)-[4-methanoyl-6-methyl-5-oxidanyl-3-(phosphonooxymethyl)pyridin-2-yl]diazenyl]benzene-1,3-disulfonic acid | 組成式: | C14 H14 N3 O12 P S2 | SMILES: | Cc1nc(N=Nc2ccc(cc2[S](O)(=O)=O)[S](O)(=O)=O)c(CO[P](O)(O)=O)c(C=O)c1O | InChi: | InChI=1S/C14H14N3O12PS2/c1-7-13(19)9(5-18)10(6-29-30(20,21)22)14(15-7)17-16-11-3-2-8(31(23,24)25)4-12(11)32(26,27)28/h2-5,19H,6H2,1H3,(H2,20,21,22)(H,23,24,25)(H,26,27,28)/b17-16+ | 別名: | Ppads | 定義日: | 2023-06-10 | 最終更新日: | 2023-11-24 | 公開日: | 2023-11-29 | 識別子(ID): | 4-[(~{E})-[4-methanoyl-6-methyl-5-oxidanyl-3-(phosphonooxymethyl)pyridin-2-yl]diazenyl]benzene-1,3-disulfonic acid |
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![NWR NWR](https://data.pdbj.org/pdbjplus/data/cc/svg/NWR.svg) | NWR | 表記: | (8~{S},14~{S},18~{E})-8-[(4-chlorophenyl)methyl]-3,21-dithia-7,10,16-triazatricyclo[21.2.2.1^{10,14}]octacosa-1(26),18,23(27),24-tetraene-6,9,15-trione | 組成式: | C30 H36 Cl N3 O3 S2 | SMILES: | Clc1ccc(C[CH]2NC(=O)CCSCc3ccc(CSCC=CCNC(=O)[CH]4CCC[N](C4)C2=O)cc3)cc1 | InChi: | InChI=1S/C30H36ClN3O3S2/c31-26-11-9-22(10-12-26)18-27-30(37)34-15-3-4-25(19-34)29(36)32-14-1-2-16-38-20-23-5-7-24(8-6-23)21-39-17-13-28(35)33-27/h1-2,5-12,25,27H,3-4,13-21H2,(H,32,36)(H,33,35)/b2-1+/t25-,27-/m0/s1 | 定義日: | 2022-08-24 | 最終更新日: | 2023-11-24 | 公開日: | 2023-11-29 | 識別子(ID): | (8~{S},14~{S},18~{E})-8-[(4-chlorophenyl)methyl]-3,21-dithia-7,10,16-triazatricyclo[21.2.2.1^{10,14}]octacosa-1(26),18,23(27),24-tetraene-6,9,15-trione |
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![O0H O0H](https://data.pdbj.org/pdbjplus/data/cc/svg/O0H.svg) | O0H | 表記: | ~{N}-[6-ethoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide | 組成式: | C23 H25 F3 N6 O3 | SMILES: | CCOc1cc2nn(CC(=O)N3CCN(C)CC3)cc2cc1NC(=O)c4cccc(n4)C(F)(F)F | InChi: | InChI=1S/C23H25F3N6O3/c1-3-35-19-12-17-15(13-32(29-17)14-21(33)31-9-7-30(2)8-10-31)11-18(19)28-22(34)16-5-4-6-20(27-16)23(24,25)26/h4-6,11-13H,3,7-10,14H2,1-2H3,(H,28,34) | 定義日: | 2022-08-25 | 最終更新日: | 2023-11-24 | 公開日: | 2023-11-29 | 識別子(ID): | ~{N}-[6-ethoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide |
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![V6C V6C](https://data.pdbj.org/pdbjplus/data/cc/svg/V6C.svg) | V6C | 表記: | 1-(3-methoxyphenyl)-1,2,3,4-tetrazole | 組成式: | C8 H8 N4 O | SMILES: | COc1cccc(c1)n2cnnn2 | InChi: | InChI=1S/C8H8N4O/c1-13-8-4-2-3-7(5-8)12-6-9-10-11-12/h2-6H,1H3 | 定義日: | 2023-07-07 | 最終更新日: | 2023-11-24 | 公開日: | 2023-11-29 | 識別子(ID): | 1-(3-methoxyphenyl)-1,2,3,4-tetrazole |
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![VLF VLF](https://data.pdbj.org/pdbjplus/data/cc/svg/VLF.svg) | VLF | 表記: | 4-methyl-~{N}-[(2~{S})-4-oxidanyl-3-oxidanylidene-1-phenyl-butan-2-yl]benzenesulfonamide | 組成式: | C17 H19 N O4 S | SMILES: | Cc1ccc(cc1)[S](=O)(=O)N[CH](Cc2ccccc2)C(=O)CO | InChi: | InChI=1S/C17H19NO4S/c1-13-7-9-15(10-8-13)23(21,22)18-16(17(20)12-19)11-14-5-3-2-4-6-14/h2-10,16,18-19H,11-12H2,1H3/t16-/m0/s1 | 定義日: | 2023-03-15 | 最終更新日: | 2023-11-24 | 公開日: | 2023-11-29 | 識別子(ID): | 4-methyl-~{N}-[(2~{S})-4-oxidanyl-3-oxidanylidene-1-phenyl-butan-2-yl]benzenesulfonamide |
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![E7J E7J](https://data.pdbj.org/pdbjplus/data/cc/svg/E7J.svg) | E7J | 表記: | 4-(4-oxidanylbutoxycarbonyl)benzoic acid | 組成式: | C12 H14 O5 | SMILES: | OCCCCOC(=O)c1ccc(cc1)C(O)=O | InChi: | InChI=1S/C12H14O5/c13-7-1-2-8-17-12(16)10-5-3-9(4-6-10)11(14)15/h3-6,13H,1-2,7-8H2,(H,14,15) | 定義日: | 2023-06-14 | 最終更新日: | 2023-11-24 | 公開日: | 2023-11-29 | 識別子(ID): | 4-(4-oxidanylbutoxycarbonyl)benzoic acid |
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![T4R T4R](https://data.pdbj.org/pdbjplus/data/cc/svg/T4R.svg) | T4R | 表記: | 5-iodo-1H-pyrazole | 組成式: | C3 H3 I N2 | SMILES: | Ic1ccn[NH]1 | InChi: | InChI=1S/C3H3IN2/c4-3-1-2-5-6-3/h1-2H,(H,5,6) | 定義日: | 2023-08-28 | 最終更新日: | 2023-11-24 | 公開日: | 2023-11-29 | 識別子(ID): | 5-iodo-1H-pyrazole |
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![T63 T63](https://data.pdbj.org/pdbjplus/data/cc/svg/T63.svg) | T63 | 表記: | 2-phenylpyrimidin-5-ol | 組成式: | C10 H8 N2 O | SMILES: | Oc1cnc(nc1)c1ccccc1 | InChi: | InChI=1S/C10H8N2O/c13-9-6-11-10(12-7-9)8-4-2-1-3-5-8/h1-7,13H | 定義日: | 2023-08-28 | 最終更新日: | 2023-11-24 | 公開日: | 2023-11-29 | 識別子(ID): | 2-phenylpyrimidin-5-ol |
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![T6R T6R](https://data.pdbj.org/pdbjplus/data/cc/svg/T6R.svg) | T6R | 表記: | 1-ethyl-1H-benzimidazole | 組成式: | C9 H10 N2 | SMILES: | CCn1cnc2ccccc21 | InChi: | InChI=1S/C9H10N2/c1-2-11-7-10-8-5-3-4-6-9(8)11/h3-7H,2H2,1H3 | 定義日: | 2023-08-28 | 最終更新日: | 2023-11-24 | 公開日: | 2023-11-29 | 識別子(ID): | 1-ethyl-1H-benzimidazole |
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![T7B T7B](https://data.pdbj.org/pdbjplus/data/cc/svg/T7B.svg) | T7B | 表記: | (1'S)-2',3'-dihydrospiro[imidazolidine-4,1'-indene]-2,5-dione | 組成式: | C11 H10 N2 O2 | SMILES: | O=C1NC(=O)NC21CCc1ccccc12 | InChi: | InChI=1S/C11H10N2O2/c14-9-11(13-10(15)12-9)6-5-7-3-1-2-4-8(7)11/h1-4H,5-6H2,(H2,12,13,14,15)/t11-/m0/s1 | 定義日: | 2023-08-28 | 最終更新日: | 2023-11-24 | 公開日: | 2023-11-29 | 識別子(ID): | (1'S)-2',3'-dihydrospiro[imidazolidine-4,1'-indene]-2,5-dione |
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![T7L T7L](https://data.pdbj.org/pdbjplus/data/cc/svg/T7L.svg) | T7L | 表記: | 2-phenyl-1,3-thiazole-5-carboxylic acid | 組成式: | C10 H7 N O2 S | SMILES: | O=C(O)c1cnc(s1)c1ccccc1 | InChi: | InChI=1S/C10H7NO2S/c12-10(13)8-6-11-9(14-8)7-4-2-1-3-5-7/h1-6H,(H,12,13) | 定義日: | 2023-08-28 | 最終更新日: | 2023-11-24 | 公開日: | 2023-11-29 | 識別子(ID): | 2-phenyl-1,3-thiazole-5-carboxylic acid |
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![T7U T7U](https://data.pdbj.org/pdbjplus/data/cc/svg/T7U.svg) | T7U | 表記: | N-cyclopropyl-2-hydroxybenzamide | 組成式: | C10 H11 N O2 | SMILES: | O=C(NC1CC1)c1ccccc1O | InChi: | InChI=1S/C10H11NO2/c12-9-4-2-1-3-8(9)10(13)11-7-5-6-7/h1-4,7,12H,5-6H2,(H,11,13) | 定義日: | 2023-08-28 | 最終更新日: | 2023-11-24 | 公開日: | 2023-11-29 | 識別子(ID): | N-cyclopropyl-2-hydroxybenzamide |
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![T89 T89](https://data.pdbj.org/pdbjplus/data/cc/svg/T89.svg) | T89 | 表記: | [4-(hydroxymethyl)piperidin-1-yl](phenyl)methanone | 組成式: | C13 H17 N O2 | SMILES: | O=C(c1ccccc1)N1CCC(CO)CC1 | InChi: | InChI=1S/C13H17NO2/c15-10-11-6-8-14(9-7-11)13(16)12-4-2-1-3-5-12/h1-5,11,15H,6-10H2 | 定義日: | 2023-08-28 | 最終更新日: | 2023-11-24 | 公開日: | 2023-11-29 | 識別子(ID): | [4-(hydroxymethyl)piperidin-1-yl](phenyl)methanone |
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![T8O T8O](https://data.pdbj.org/pdbjplus/data/cc/svg/T8O.svg) | T8O | 表記: | 4-[(difluoromethyl)sulfanyl]aniline | 組成式: | C7 H7 F2 N S | SMILES: | FC(F)Sc1ccc(N)cc1 | InChi: | InChI=1S/C7H7F2NS/c8-7(9)11-6-3-1-5(10)2-4-6/h1-4,7H,10H2 | 定義日: | 2023-08-28 | 最終更新日: | 2023-11-24 | 公開日: | 2023-11-29 | 識別子(ID): | 4-[(difluoromethyl)sulfanyl]aniline |
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![T9F T9F](https://data.pdbj.org/pdbjplus/data/cc/svg/T9F.svg) | T9F | 表記: | 4-(4-methoxyphenyl)-1,2,3,6-tetrahydropyridine | 組成式: | C12 H15 N O | SMILES: | COc1ccc(cc1)C1=CCNCC1 | InChi: | InChI=1S/C12H15NO/c1-14-12-4-2-10(3-5-12)11-6-8-13-9-7-11/h2-6,13H,7-9H2,1H3 | 定義日: | 2023-08-28 | 最終更新日: | 2023-11-24 | 公開日: | 2023-11-29 | 識別子(ID): | 4-(4-methoxyphenyl)-1,2,3,6-tetrahydropyridine |
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![T9X T9X](https://data.pdbj.org/pdbjplus/data/cc/svg/T9X.svg) | T9X | 表記: | 5-(propan-2-yl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole | 組成式: | C9 H15 N3 O | SMILES: | CC(C)c1nc(no1)C1NCCC1 | InChi: | InChI=1S/C9H15N3O/c1-6(2)9-11-8(12-13-9)7-4-3-5-10-7/h6-7,10H,3-5H2,1-2H3/t7-/m0/s1 | 定義日: | 2023-08-28 | 最終更新日: | 2023-11-24 | 公開日: | 2023-11-29 | 識別子(ID): | 5-(propan-2-yl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole |
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