![GB9 GB9](https://data.pdbj.org/pdbjplus/data/cc/svg/GB9.svg) | GB9 | 表記: | N-(6-chloranylpyridin-3-yl)-4-fluoranyl-benzamide | 組成式: | C12 H8 Cl F N2 O | SMILES: | Fc1ccc(cc1)C(=O)Nc2ccc(Cl)nc2 | InChi: | InChI=1S/C12H8ClFN2O/c13-11-6-5-10(7-15-11)16-12(17)8-1-3-9(14)4-2-8/h1-7H,(H,16,17) | 別名: | ztz240 | 定義日: | 2020-08-17 | 最終更新日: | 2020-11-05 | 公開日: | 2020-09-16 | 識別子(ID): | ~{N}-(6-chloranylpyridin-3-yl)-4-fluoranyl-benzamide |
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![FBX FBX](https://data.pdbj.org/pdbjplus/data/cc/svg/FBX.svg) | FBX | 表記: | ethyl N-[2-azanyl-4-[(4-fluorophenyl)methylamino]phenyl]carbamate | 組成式: | C16 H18 F N3 O2 | SMILES: | CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)cc1N | InChi: | InChI=1S/C16H18FN3O2/c1-2-22-16(21)20-15-8-7-13(9-14(15)18)19-10-11-3-5-12(17)6-4-11/h3-9,19H,2,10,18H2,1H3,(H,20,21) | 別名: | Retigabine, Ezogabine | 定義日: | 2020-04-27 | 最終更新日: | 2020-11-05 | 公開日: | 2020-09-16 | 識別子(ID): | ethyl ~{N}-[2-azanyl-4-[(4-fluorophenyl)methylamino]phenyl]carbamate |
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![4D6 4D6](https://data.pdbj.org/pdbjplus/data/cc/svg/4D6.svg) | 4D6 | 表記: | Vaborbactam | 組成式: | C12 H16 B N O5 S | SMILES: | c2ccc(CC(NC1CCC(OB1O)CC(=O)O)=O)s2 | InChi: | InChI=1S/C12H16BNO5S/c15-11(7-9-2-1-5-20-9)14-10-4-3-8(6-12(16)17)19-13(10)18/h1-2,5,8,10,18H,3-4,6-7H2,(H,14,15)(H,16,17)/t8-,10-/m0/s1 | 別名: | {(3R,6S)-2-hydroxy-3-[(thiophen-2-ylacetyl)amino]-1,2-oxaborinan-6-yl}acetic acid | 定義日: | 2015-03-03 | 最終更新日: | 2020-11-04 | 公開日: | 2015-04-01 | 識別子(ID): | {(3R,6S)-2-hydroxy-3-[(thiophen-2-ylacetyl)amino]-1,2-oxaborinan-6-yl}acetic acid |
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![GYX GYX](https://data.pdbj.org/pdbjplus/data/cc/svg/GYX.svg) | GYX | 表記: | N-[(3-acetamidophenyl)methyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide | 組成式: | C27 H31 N3 O2 | SMILES: | C[CH](N1CCC(CC1)C(=O)NCc2cccc(NC(C)=O)c2)c3cccc4ccccc34 | InChi: | InChI=1S/C27H31N3O2/c1-19(25-12-6-9-22-8-3-4-11-26(22)25)30-15-13-23(14-16-30)27(32)28-18-21-7-5-10-24(17-21)29-20(2)31/h3-12,17,19,23H,13-16,18H2,1-2H3,(H,28,32)(H,29,31)/t19-/m1/s1 | 定義日: | 2020-10-09 | 最終更新日: | 2020-10-30 | 公開日: | 2020-11-04 | 識別子(ID): | ~{N}-[(3-acetamidophenyl)methyl]-1-[(1~{R})-1-naphthalen-1-ylethyl]piperidine-4-carboxamide |
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![QOQ QOQ](https://data.pdbj.org/pdbjplus/data/cc/svg/QOQ.svg) | QOQ | 表記: | 5-[bis(fluoranyl)methyl]-7-[(3~{S})-1-[(2-chloranyl-6-methyl-pyridin-4-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine | 組成式: | C18 H19 Cl F2 N6 | SMILES: | Cc1cc(CN2CCC[CH](C2)c3cc(nc4ncnn34)C(F)F)cc(Cl)n1 | InChi: | InChI=1S/C18H19ClF2N6/c1-11-5-12(6-16(19)24-11)8-26-4-2-3-13(9-26)15-7-14(17(20)21)25-18-22-10-23-27(15)18/h5-7,10,13,17H,2-4,8-9H2,1H3/t13-/m0/s1 | 定義日: | 2020-07-13 | 最終更新日: | 2020-10-30 | 公開日: | 2020-11-04 | 識別子(ID): | 5-[bis(fluoranyl)methyl]-7-[(3~{S})-1-[(2-chloranyl-6-methyl-pyridin-4-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine |
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![R4P R4P](https://data.pdbj.org/pdbjplus/data/cc/svg/R4P.svg) | R4P | 表記: | 1-methyl-5-(2'-methyl[1,1'-biphenyl]-4-yl)-1H-benzotriazole-7-carboxylic acid | 組成式: | C21 H17 N3 O2 | SMILES: | c1(cc(cc2c1n(C)nn2)c3ccc(cc3)c4c(cccc4)C)C(=O)O | InChi: | InChI=1S/C21H17N3O2/c1-13-5-3-4-6-17(13)15-9-7-14(8-10-15)16-11-18(21(25)26)20-19(12-16)22-23-24(20)2/h3-12H,1-2H3,(H,25,26) | 定義日: | 2020-01-30 | 最終更新日: | 2020-10-30 | 公開日: | 2020-11-04 | 識別子(ID): | 1-methyl-5-(2'-methyl[1,1'-biphenyl]-4-yl)-1H-benzotriazole-7-carboxylic acid |
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![R6K R6K](https://data.pdbj.org/pdbjplus/data/cc/svg/R6K.svg) | R6K | 表記: | 2-azanyl-~{N}-[(1~{S},2~{S})-2-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide | 組成式: | C34 H41 N7 O2 | SMILES: | CN1CCN(CC1)Cc2ccc(cc2)c3ccc(CO[CH]4CCC[CH]4NC(=O)c5cc(cnc5N)c6cnn(C)c6)cc3 | InChi: | InChI=1S/C34H41N7O2/c1-39-14-16-41(17-15-39)21-24-6-10-26(11-7-24)27-12-8-25(9-13-27)23-43-32-5-3-4-31(32)38-34(42)30-18-28(19-36-33(30)35)29-20-37-40(2)22-29/h6-13,18-20,22,31-32H,3-5,14-17,21,23H2,1-2H3,(H2,35,36)(H,38,42)/t31-,32-/m0/s1 | 定義日: | 2020-09-07 | 最終更新日: | 2020-10-30 | 公開日: | 2020-11-04 | 識別子(ID): | 2-azanyl-~{N}-[(1~{S},2~{S})-2-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide |
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![ROY ROY](https://data.pdbj.org/pdbjplus/data/cc/svg/ROY.svg) | ROY | 表記: | 3,4-dichloro-2-cyclopropyl-1-[(piperidin-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide | 組成式: | C17 H20 Cl2 N4 O | SMILES: | C1C(C1)c2n(c3c(c2Cl)c(Cl)cc(n3)C(=O)N)CC4CCNCC4 | InChi: | InChI=1S/C17H20Cl2N4O/c18-11-7-12(16(20)24)22-17-13(11)14(19)15(10-1-2-10)23(17)8-9-3-5-21-6-4-9/h7,9-10,21H,1-6,8H2,(H2,20,24) | 定義日: | 2020-02-18 | 最終更新日: | 2020-10-30 | 公開日: | 2020-11-04 | 識別子(ID): | 3,4-dichloro-2-cyclopropyl-1-[(piperidin-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide |
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![RP7 RP7](https://data.pdbj.org/pdbjplus/data/cc/svg/RP7.svg) | RP7 | 表記: | (3S)-1-methyl-1,2,3,6-tetrahydropyridin-3-ol | 組成式: | C6 H11 N O | SMILES: | CN1CC=CC(C1)O | InChi: | InChI=1S/C6H11NO/c1-7-4-2-3-6(8)5-7/h2-3,6,8H,4-5H2,1H3/t6-/m0/s1 | 定義日: | 2020-02-18 | 最終更新日: | 2020-10-30 | 公開日: | 2020-11-04 | 識別子(ID): | (3S)-1-methyl-1,2,3,6-tetrahydropyridin-3-ol |
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![N28 N28](https://data.pdbj.org/pdbjplus/data/cc/svg/N28.svg) | N28 | 表記: | 4-[[[4-(aminomethyl)phenyl]carbamoyl-(4-oxidanylbutyl)amino]methyl]-~{N}-oxidanyl-benzamide | 組成式: | C20 H26 N4 O4 | SMILES: | NCc1ccc(NC(=O)N(CCCCO)Cc2ccc(cc2)C(=O)NO)cc1 | InChi: | InChI=1S/C20H26N4O4/c21-13-15-5-9-18(10-6-15)22-20(27)24(11-1-2-12-25)14-16-3-7-17(8-4-16)19(26)23-28/h3-10,25,28H,1-2,11-14,21H2,(H,22,27)(H,23,26) | 定義日: | 2019-11-07 | 最終更新日: | 2020-10-30 | 公開日: | 2020-11-04 | 識別子(ID): | 4-[[[4-(aminomethyl)phenyl]carbamoyl-(4-oxidanylbutyl)amino]methyl]-~{N}-oxidanyl-benzamide |
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![TUS TUS](https://data.pdbj.org/pdbjplus/data/cc/svg/TUS.svg) | TUS | 表記: | (4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)-5-hydroxy-6b-(hydroxyacetyl)-4a,6a,8-trimethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]oxazol-2-one | 組成式: | C23 H29 N O5 | SMILES: | C23(C4C(CC1(C5(C(CC1C4CCC2=CC(C=C3)=O)OC(C)=N5)C(CO)=O)C)O)C | InChi: | InChI=1S/C23H29NO5/c1-12-24-23(18(28)11-25)19(29-12)9-16-15-5-4-13-8-14(26)6-7-21(13,2)20(15)17(27)10-22(16,23)3/h6-8,15-17,19-20,25,27H,4-5,9-11H2,1-3H3/t15-,16-,17-,19+,20+,21-,22-,23+/m0/s1 | 定義日: | 2020-03-31 | 最終更新日: | 2020-10-30 | 公開日: | 2020-11-04 | 識別子(ID): | (4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)-5-hydroxy-6b-(hydroxyacetyl)-4a,6a,8-trimethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]oxazol-2-one |
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![TJG TJG](https://data.pdbj.org/pdbjplus/data/cc/svg/TJG.svg) | TJG | 表記: | 7-cyclopropyl-N-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]-1,8-naphthyridine-3-carboxamide | 組成式: | C21 H27 N3 O2 | SMILES: | c4c(C(NC1CCC(C(C)(O)C)CC1)=O)cc3ccc(C2CC2)nc3n4 | InChi: | InChI=1S/C21H27N3O2/c1-21(2,26)16-6-8-17(9-7-16)23-20(25)15-11-14-5-10-18(13-3-4-13)24-19(14)22-12-15/h5,10-13,16-17,26H,3-4,6-9H2,1-2H3,(H,23,25)/t16-,17- | 定義日: | 2020-03-23 | 最終更新日: | 2020-10-30 | 公開日: | 2020-11-04 | 識別子(ID): | 7-cyclopropyl-N-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]-1,8-naphthyridine-3-carboxamide |
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![SL4 SL4](https://data.pdbj.org/pdbjplus/data/cc/svg/SL4.svg) | SL4 | 表記: | 5-[[(2~{S})-4-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-2-~{tert}-butyl-3-oxidanyl-5-oxidanylidene-2~{H}-pyrrol-1-yl]methyl]-2-fluoranyl-benzenecarbonitrile | 組成式: | C23 H20 F N3 O4 S | SMILES: | CC(C)(C)[CH]1N(Cc2ccc(F)c(c2)C#N)C(=O)C(=C1O)C3=N[S](=O)(=O)c4ccccc34 | InChi: | InChI=1S/C23H20FN3O4S/c1-23(2,3)21-20(28)18(19-15-6-4-5-7-17(15)32(30,31)26-19)22(29)27(21)12-13-8-9-16(24)14(10-13)11-25/h4-10,21,28H,12H2,1-3H3/t21-/m1/s1 | 定義日: | 2020-03-11 | 最終更新日: | 2020-10-30 | 公開日: | 2020-11-04 | 識別子(ID): | 5-[[(2~{S})-4-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-2-~{tert}-butyl-3-oxidanyl-5-oxidanylidene-2~{H}-pyrrol-1-yl]methyl]-2-fluoranyl-benzenecarbonitrile |
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![SWS SWS](https://data.pdbj.org/pdbjplus/data/cc/svg/SWS.svg) | SWS | 表記: | 7-(azetidin-1-yl)-~{N}-[4-(2-oxidanylpropan-2-yl)cyclohexyl]-1,6-naphthyridine-3-carboxamide | 組成式: | C21 H28 N4 O2 | SMILES: | CC(C)(O)[CH]1CC[CH](CC1)NC(=O)c2cnc3cc(ncc3c2)N4CCC4 | InChi: | InChI=1S/C21H28N4O2/c1-21(2,27)16-4-6-17(7-5-16)24-20(26)15-10-14-12-23-19(25-8-3-9-25)11-18(14)22-13-15/h10-13,16-17,27H,3-9H2,1-2H3,(H,24,26)/t16-,17- | 定義日: | 2020-03-13 | 最終更新日: | 2020-10-30 | 公開日: | 2020-11-04 | 識別子(ID): | 7-(azetidin-1-yl)-~{N}-[4-(2-oxidanylpropan-2-yl)cyclohexyl]-1,6-naphthyridine-3-carboxamide |
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![V4A V4A](https://data.pdbj.org/pdbjplus/data/cc/svg/V4A.svg) | V4A | 表記: | Platinum(II) bis[3-(pyridin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine] | 組成式: | C22 H16 N8 Pt | SMILES: | c3cccc4c2n1c(cccc1)nn2[Pt+2]6(n34)n8c(c5ccccn56)n7c(cccc7)n8 | InChi: | InChI=1S/2C11H8N4.Pt/c2*1-3-7-12-9(5-1)11-14-13-10-6-2-4-8-15(10)11 | 定義日: | 2020-06-24 | 最終更新日: | 2020-10-30 | 公開日: | 2020-11-04 | 識別子(ID): | bis[3-(pyridin-2-yl-kappaN)[1,2,4]triazolo[4,3-a]pyridine-kappaN~2~]platinum(2+) |
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![VFG VFG](https://data.pdbj.org/pdbjplus/data/cc/svg/VFG.svg) | VFG | 表記: | N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide | 組成式: | C5 H8 N4 O3 S2 | SMILES: | CCC(=O)Nc1nnc(S(N)(=O)=O)s1 | InChi: | InChI=1S/C5H8N4O3S2/c1-2-3(10)7-4-8-9-5(13-4)14(6,11)12/h2H2,1H3,(H2,6,11,12)(H,7,8,10) | 定義日: | 2020-08-07 | 最終更新日: | 2020-10-30 | 公開日: | 2020-11-04 | 識別子(ID): | N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide |
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![VFJ VFJ](https://data.pdbj.org/pdbjplus/data/cc/svg/VFJ.svg) | VFJ | 表記: | N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide | 組成式: | C6 H10 N4 O3 S2 | SMILES: | C(C)CC(=O)Nc1nnc(S(N)(=O)=O)s1 | InChi: | InChI=1S/C6H10N4O3S2/c1-2-3-4(11)8-5-9-10-6(14-5)15(7,12)13/h2-3H2,1H3,(H2,7,12,13)(H,8,9,11) | 定義日: | 2020-08-07 | 最終更新日: | 2020-10-30 | 公開日: | 2020-11-04 | 識別子(ID): | N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide |
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![VFM VFM](https://data.pdbj.org/pdbjplus/data/cc/svg/VFM.svg) | VFM | 表記: | 2-methyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide | 組成式: | C6 H10 N4 O3 S2 | SMILES: | CC(C)C(=O)Nc1nnc(S(N)(=O)=O)s1 | InChi: | InChI=1S/C6H10N4O3S2/c1-3(2)4(11)8-5-9-10-6(14-5)15(7,12)13/h3H,1-2H3,(H2,7,12,13)(H,8,9,11) | 定義日: | 2020-08-10 | 最終更新日: | 2020-10-30 | 公開日: | 2020-11-04 | 識別子(ID): | 2-methyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide |
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![VGS VGS](https://data.pdbj.org/pdbjplus/data/cc/svg/VGS.svg) | VGS | 表記: | 2,2-dimethyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide | 組成式: | C7 H12 N4 O3 S2 | SMILES: | CC(C)(C(Nc1nnc(S(N)(=O)=O)s1)=O)C | InChi: | InChI=1S/C7H12N4O3S2/c1-7(2,3)4(12)9-5-10-11-6(15-5)16(8,13)14/h1-3H3,(H2,8,13,14)(H,9,10,12) | 定義日: | 2020-08-10 | 最終更新日: | 2020-10-30 | 公開日: | 2020-11-04 | 識別子(ID): | 2,2-dimethyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide |
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![VGV VGV](https://data.pdbj.org/pdbjplus/data/cc/svg/VGV.svg) | VGV | 表記: | N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide | 組成式: | C9 H14 N4 O3 S2 | SMILES: | C2CC(C(=O)Nc1nnc(S(N)(=O)=O)s1)CCC2 | InChi: | InChI=1S/C9H14N4O3S2/c10-18(15,16)9-13-12-8(17-9)11-7(14)6-4-2-1-3-5-6/h6H,1-5H2,(H2,10,15,16)(H,11,12,14) | 定義日: | 2020-08-10 | 最終更新日: | 2020-10-30 | 公開日: | 2020-11-04 | 識別子(ID): | N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide |
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![E6O E6O](https://data.pdbj.org/pdbjplus/data/cc/svg/E6O.svg) | E6O | 表記: | 5-chloro-2-(N-((1S,2R)-2-(2,3-dihydro-1H-inden-4-yl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)sulfamoyl)benzamide | 組成式: | C21 H21 Cl N4 O5 S | SMILES: | C[CH]([CH](N[S](=O)(=O)c1ccc(Cl)cc1C(N)=O)C2=NNC(=O)O2)c3cccc4CCCc34 | InChi: | InChI=1S/C21H21ClN4O5S/c1-11(14-6-2-4-12-5-3-7-15(12)14)18(20-24-25-21(28)31-20)26-32(29,30)17-9-8-13(22)10-16(17)19(23)27/h2,4,6,8-11,18,26H,3,5,7H2,1H3,(H2,23,27)(H,25,28)/t11-,18+/m1/s1 | 定義日: | 2019-11-06 | 最終更新日: | 2020-10-30 | 公開日: | 2020-11-04 | 識別子(ID): | 5-chloranyl-2-[[(1~{S},2~{R})-2-(2,3-dihydro-1~{H}-inden-4-yl)-1-(2-oxidanylidene-3~{H}-1,3,4-oxadiazol-5-yl)propyl]sulfamoyl]benzamide |
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![WFY WFY](https://data.pdbj.org/pdbjplus/data/cc/svg/WFY.svg) | WFY | 表記: | 4-chloro-1-{(1S)-1-[(3S)-3-fluoropyrrolidin-3-yl]ethyl}-3-methyl-1H-pyrrolo[2,3-b]pyridine-6-carboxamide | 組成式: | C15 H18 Cl F N4 O | SMILES: | Clc1cc(C(=O)N)nc2c1c(C)cn2C(C)C3(CNCC3)F | InChi: | InChI=1S/C15H18ClFN4O/c1-8-6-21(9(2)15(17)3-4-19-7-15)14-12(8)10(16)5-11(20-14)13(18)22/h5-6,9,19H,3-4,7H2,1-2H3,(H2,18,22)/t9-,15-/m0/s1 | 定義日: | 2020-10-27 | 最終更新日: | 2020-10-30 | 公開日: | 2020-11-04 | 識別子(ID): | 4-chloro-1-{(1S)-1-[(3S)-3-fluoropyrrolidin-3-yl]ethyl}-3-methyl-1H-pyrrolo[2,3-b]pyridine-6-carboxamide |
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![EL6 EL6](https://data.pdbj.org/pdbjplus/data/cc/svg/EL6.svg) | EL6 | 表記: | [(2S)-2-octadecanoyloxypropyl] octadecanoate | 組成式: | C39 H76 O4 | SMILES: | CCCCCCCCCCCCCCCCCC(=O)OC[CH](C)OC(=O)CCCCCCCCCCCCCCCCC | InChi: | InChI=1S/C39H76O4/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-38(40)42-36-37(3)43-39(41)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h37H,4-36H2,1-3H3/t37-/m0/s1 | 定義日: | 2020-01-10 | 最終更新日: | 2020-10-30 | 公開日: | 2020-11-04 | 識別子(ID): | [(2~{S})-2-octadecanoyloxypropyl] octadecanoate |
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![EYR EYR](https://data.pdbj.org/pdbjplus/data/cc/svg/EYR.svg) | EYR | 表記: | (6~{E},10~{E},14~{E},18~{E},22~{E},26~{E},30~{R})-2,6,10,14,18,22,26,30-octamethyldotriaconta-2,6,10,14,18,22,26-heptaene | 組成式: | C40 H68 | SMILES: | CC[CH](C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C | InChi: | InChI=1S/C40H68/c1-11-34(4)20-13-22-36(6)24-15-26-38(8)28-17-30-40(10)32-18-31-39(9)29-16-27-37(7)25-14-23-35(5)21-12-19-33(2)3/h19,22-23,26-27,30-31,34H,11-18,20-21,24-25,28-29,32H2,1-10H3/b35-23+,36-22+,37-27+,38-26+,39-31+,40-30+/t34-/m1/s1 | 定義日: | 2020-02-26 | 最終更新日: | 2020-10-30 | 公開日: | 2020-11-04 | 識別子(ID): | (6~{E},10~{E},14~{E},18~{E},22~{E},26~{E},30~{R})-2,6,10,14,18,22,26,30-octamethyldotriaconta-2,6,10,14,18,22,26-heptaene |
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![EZC EZC](https://data.pdbj.org/pdbjplus/data/cc/svg/EZC.svg) | EZC | 表記: | 2-[[(2~{R})-2-butyl-6,7-bis(chloranyl)-2-cyclopentyl-1-oxidanylidene-3~{H}-inden-5-yl]oxy]ethanoic acid | 組成式: | C20 H24 Cl2 O4 | SMILES: | CCCC[C]1(Cc2cc(OCC(O)=O)c(Cl)c(Cl)c2C1=O)C3CCCC3 | InChi: | InChI=1S/C20H24Cl2O4/c1-2-3-8-20(13-6-4-5-7-13)10-12-9-14(26-11-15(23)24)17(21)18(22)16(12)19(20)25/h9,13H,2-8,10-11H2,1H3,(H,23,24)/t20-/m1/s1 | 定義日: | 2020-02-27 | 最終更新日: | 2020-10-30 | 公開日: | 2020-11-04 | 識別子(ID): | 2-[[(2~{R})-2-butyl-6,7-bis(chloranyl)-2-cyclopentyl-1-oxidanylidene-3~{H}-inden-5-yl]oxy]ethanoic acid |
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