![9E0 9E0](https://data.pdbj.org/pdbjplus/data/cc/svg/9E0.svg) | 9E0 | 表記: | (5~{S},6~{R})-5-methyl-7-thia-2-azatricyclo[6.3.1.0^{4,12}]dodeca-1(12),3,8,10-tetraene-6-carboxylic acid | 組成式: | C12 H11 N O2 S | SMILES: | C[CH]1[CH](Sc2cccc3[nH]cc1c23)C(O)=O | InChi: | InChI=1S/C12H11NO2S/c1-6-7-5-13-8-3-2-4-9(10(7)8)16-11(6)12(14)15/h2-6,11,13H,1H3,(H,14,15)/t6-,11+/m0/s1 | 定義日: | 2018-03-21 | 最終更新日: | 2021-07-16 | 公開日: | 2021-07-21 | 識別子(ID): | (5~{S},6~{R})-5-methyl-7-thia-2-azatricyclo[6.3.1.0^{4,12}]dodeca-1(12),3,8,10-tetraene-6-carboxylic acid |
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![06I 06I](https://data.pdbj.org/pdbjplus/data/cc/svg/06I.svg) | 06I | 表記: | 5-(3-{3-chloro-5-[(5-methyl-1,3-thiazol-4-yl)methoxy]phenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione | 組成式: | C25 H18 Cl N5 O4 S | SMILES: | O=C1NC=C(C(=O)N1)C=1C=C(C(=O)N(C=1)c1cccnc1)c1cc(cc(Cl)c1)OCc1ncsc1C | InChi: | InChI=1S/C25H18ClN5O4S/c1-14-22(29-13-36-14)12-35-19-6-15(5-17(26)8-19)20-7-16(21-10-28-25(34)30-23(21)32)11-31(24(20)33)18-3-2-4-27-9-18/h2-11,13H,12H2,1H3,(H2,28,30,32,34) | 定義日: | 2021-06-03 | 最終更新日: | 2021-07-16 | 公開日: | 2021-07-21 | 識別子(ID): | 5-(3-{3-chloro-5-[(5-methyl-1,3-thiazol-4-yl)methoxy]phenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione |
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![06N 06N](https://data.pdbj.org/pdbjplus/data/cc/svg/06N.svg) | 06N | 表記: | 4-[2-(propylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenol | 組成式: | C13 H14 N4 O S | SMILES: | CCCNc1sc2ncc(n2n1)c3ccc(O)cc3 | InChi: | InChI=1S/C13H14N4OS/c1-2-7-14-12-16-17-11(8-15-13(17)19-12)9-3-5-10(18)6-4-9/h3-6,8,18H,2,7H2,1H3,(H,14,16) | 定義日: | 2021-05-31 | 最終更新日: | 2021-07-16 | 公開日: | 2021-07-21 | 識別子(ID): | 4-[2-(propylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenol |
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![07C 07C](https://data.pdbj.org/pdbjplus/data/cc/svg/07C.svg) | 07C | 表記: | 2-methylsulfanyl-10-nitro-pyrido[3,4-g]quinazoline | 組成式: | C12 H8 N4 O2 S | SMILES: | CSc1ncc2cc3cnccc3c(c2n1)[N+]([O-])=O | InChi: | InChI=1S/C12H8N4O2S/c1-19-12-14-6-8-4-7-5-13-3-2-9(7)11(16(17)18)10(8)15-12/h2-6H,1H3 | 定義日: | 2021-06-01 | 最終更新日: | 2021-07-16 | 公開日: | 2021-07-21 | 識別子(ID): | 2-methylsulfanyl-10-nitro-pyrido[3,4-g]quinazoline |
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![0EI 0EI](https://data.pdbj.org/pdbjplus/data/cc/svg/0EI.svg) | 0EI | 表記: | 4-(dimethylamino)-N-[(5Z)-9-[[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanyl-imidazol-4-yl]pyridin-2-yl]amino]-11,12-dihydrobenzo[c][1,2]benzodiazocin-2-yl]butanamide | 組成式: | C36 H37 F N8 O S | SMILES: | CSc1nc(c2ccc(F)cc2)c(n1C)c3ccnc(Nc4ccc5N=Nc6ccc(NC(=O)CCCN(C)C)cc6CCc5c4)c3 | InChi: | InChI=1S/C36H37FN8OS/c1-44(2)19-5-6-33(46)40-29-14-16-31-25(21-29)8-7-24-20-28(13-15-30(24)42-43-31)39-32-22-26(17-18-38-32)35-34(41-36(47-4)45(35)3)23-9-11-27(37)12-10-23/h9-18,20-22H,5-8,19H2,1-4H3,(H,38,39)(H,40,46)/b43-42- | 定義日: | 2021-06-05 | 最終更新日: | 2021-07-16 | 公開日: | 2021-07-21 | 識別子(ID): | 4-(dimethylamino)-~{N}-[(5~{Z})-9-[[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanyl-imidazol-4-yl]pyridin-2-yl]amino]-11,12-dihydrobenzo[c][1,2]benzodiazocin-2-yl]butanamide |
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![T7K T7K](https://data.pdbj.org/pdbjplus/data/cc/svg/T7K.svg) | T7K | 表記: | neutral Yb(III)-caged complex | 組成式: | C21 H29 N4 O7 Yb | SMILES: | Oc1ccc(CN2CCN3CCN4CCN(CC2)CC(=O)O[Yb](OC(=O)C4)OC(=O)C3)cc1 | InChi: | InChI=1S/C21H32N4O7.Yb/c26-18-3-1-17(2-4-18)13-22-5-7-23(14-19(27)28)9-11-25(16-21(31)32)12-10-24(8-6-22)15-20(29)30 | 別名: | 8-[(4-hydroxyphenyl)methyl]-2,17,18-trioxa-5,8,11,14-tetraza-1(gamma)-ytterbatricyclo[9.6.3.25,14]docosane-3,16,19-trione | 定義日: | 2020-12-17 | 最終更新日: | 2021-07-16 | 公開日: | 2021-07-21 |
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![X0Y X0Y](https://data.pdbj.org/pdbjplus/data/cc/svg/X0Y.svg) | X0Y | 表記: | 1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione | 組成式: | C8 H9 N3 O2 | SMILES: | C1(N(C(=O)N(c2c1cnc2)C)C)=O | InChi: | InChI=1S/C8H9N3O2/c1-10-6-4-9-3-5(6)7(12)11(2)8(10)13/h3-4,9H,1-2H3 | 定義日: | 2020-11-20 | 最終更新日: | 2021-07-16 | 公開日: | 2021-07-21 | 識別子(ID): | 1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione |
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![NY8 NY8](https://data.pdbj.org/pdbjplus/data/cc/svg/NY8.svg) | NY8 | 表記: | ~{N}2-[3-(dimethylamino)propyl]-6,7-dimethoxy-~{N}4-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]quinazoline-2,4-diamine | 組成式: | C31 H40 N6 O2 | SMILES: | COc1cc2nc(NCCCN(C)C)nc(NC3CCN(CC3)Cc4ccc5ccccc5c4)c2cc1OC | InChi: | InChI=1S/C31H40N6O2/c1-36(2)15-7-14-32-31-34-27-20-29(39-4)28(38-3)19-26(27)30(35-31)33-25-12-16-37(17-13-25)21-22-10-11-23-8-5-6-9-24(23)18-22/h5-6,8-11,18-20,25H,7,12-17,21H2,1-4H3,(H2,32,33,34,35) | 定義日: | 2020-01-08 | 最終更新日: | 2021-07-16 | 公開日: | 2021-07-21 | 識別子(ID): | ~{N}2-[3-(dimethylamino)propyl]-6,7-dimethoxy-~{N}4-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]quinazoline-2,4-diamine |
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![NZB NZB](https://data.pdbj.org/pdbjplus/data/cc/svg/NZB.svg) | NZB | 表記: | [(5-{4-fluoro-2-[2-(pyridin-3-yl)ethoxy]phenyl}-1H-indazol-3-yl)methyl]dimethylamine | 組成式: | C23 H23 F N4 O | SMILES: | CN(C)Cc1[nH]nc2ccc(cc12)c3ccc(F)cc3OCCc4cccnc4 | InChi: | InChI=1S/C23H23FN4O/c1-28(2)15-22-20-12-17(5-8-21(20)26-27-22)19-7-6-18(24)13-23(19)29-11-9-16-4-3-10-25-14-16/h3-8,10,12-14H,9,11,15H2,1-2H3,(H,26,27) | 別名: | 1-[5-[4-fluoranyl-2-(2-pyridin-3-ylethoxy)phenyl]-2~{H}-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine | 定義日: | 2020-01-13 | 最終更新日: | 2021-07-16 | 公開日: | 2021-07-21 | 識別子(ID): | 1-[5-[4-fluoranyl-2-(2-pyridin-3-ylethoxy)phenyl]-2~{H}-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine |
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![NZE NZE](https://data.pdbj.org/pdbjplus/data/cc/svg/NZE.svg) | NZE | 表記: | [(5-{4-fluoro-2-[2-(1H-imidazol-1-yl)ethoxy]phenyl}-1H-indazol-3-yl)methyl]dimethylamine | 組成式: | C21 H22 F N5 O | SMILES: | CN(C)Cc1n[nH]c2ccc(cc12)c3ccc(F)cc3OCCn4ccnc4 | InChi: | InChI=1S/C21H22FN5O/c1-26(2)13-20-18-11-15(3-6-19(18)24-25-20)17-5-4-16(22)12-21(17)28-10-9-27-8-7-23-14-27/h3-8,11-12,14H,9-10,13H2,1-2H3,(H,24,25) | 別名: | 1-[5-[4-fluoranyl-2-(2-imidazol-1-ylethoxy)phenyl]-1~{H}-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine | 定義日: | 2020-01-13 | 最終更新日: | 2021-07-16 | 公開日: | 2021-07-21 | 識別子(ID): | 1-[5-[4-fluoranyl-2-(2-imidazol-1-ylethoxy)phenyl]-1~{H}-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine |
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![YWJ YWJ](https://data.pdbj.org/pdbjplus/data/cc/svg/YWJ.svg) | YWJ | 表記: | 4-methoxy-N-[(2S)-4-methyl-1-oxo-1-({(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl}amino)pentan-2-yl]-1H-indole-2-carboxamide | 組成式: | C25 H34 N4 O5 | SMILES: | COc1cccc2[NH]c(cc12)C(=O)NC(CC(C)C)C(=O)NC(CC1CCCNC1=O)C(C)=O | InChi: | InChI=1S/C25H34N4O5/c1-14(2)11-20(24(32)28-19(15(3)30)12-16-7-6-10-26-23(16)31)29-25(33)21-13-17-18(27-21)8-5-9-22(17)34-4/h5,8-9,13-14,16,19-20,27H,6-7,10-12H2,1-4H3,(H,26,31)(H,28,32)(H,29,33)/t16-,19-,20-/m0/s1 | 定義日: | 2021-04-01 | 最終更新日: | 2021-07-16 | 公開日: | 2021-07-21 | 識別子(ID): | 4-methoxy-N-[(2S)-4-methyl-1-oxo-1-({(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl}amino)pentan-2-yl]-1H-indole-2-carboxamide |
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![L9K L9K](https://data.pdbj.org/pdbjplus/data/cc/svg/L9K.svg) | L9K | 表記: | (~{E})-~{N}-(1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-6~{H}-[1,2,4]triazolo[4,3-c]pyrimidin-5-imine | 組成式: | C21 H17 N5 O3 S | SMILES: | C[S](=O)(=O)c1ccc(cc1)C2=CNC(=NCc3cccc4occc34)n5cnnc25 | InChi: | InChI=1S/C21H17N5O3S/c1-30(27,28)16-7-5-14(6-8-16)18-12-23-21(26-13-24-25-20(18)26)22-11-15-3-2-4-19-17(15)9-10-29-19/h2-10,12-13H,11H2,1H3,(H,22,23) | 定義日: | 2019-08-01 | 最終更新日: | 2021-07-12 | 公開日: | 2019-09-25 | 識別子(ID): | (~{E})-~{N}-(1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-6~{H}-[1,2,4]triazolo[4,3-c]pyrimidin-5-imine |
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![ZRD ZRD](https://data.pdbj.org/pdbjplus/data/cc/svg/ZRD.svg) | ZRD | 表記: | (4aR,7aR)-6-(5-fluoropyrimidin-2-yl)-7a-(1,2-thiazol-5-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine | 組成式: | C13 H13 F N6 S2 | SMILES: | Fc1cnc(nc1)N1CC2(N=C(N)SCC2C1)c1ccns1 | InChi: | InChI=1S/C13H13FN6S2/c14-9-3-16-12(17-4-9)20-5-8-6-21-11(15)19-13(8,7-20)10-1-2-18-22-10/h1-4,8H,5-7H2,(H2,15,19)/t8-,13-/m0/s1 | 定義日: | 2021-05-25 | 最終更新日: | 2021-07-09 | 公開日: | 2021-07-14 | 識別子(ID): | (4aR,7aR)-6-(5-fluoropyrimidin-2-yl)-7a-(1,2-thiazol-5-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine |
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![HJL HJL](https://data.pdbj.org/pdbjplus/data/cc/svg/HJL.svg) | HJL | 表記: | [(2~{R},3~{S},4~{S})-5-[[2,5-bis(azanyl)-6-oxidanylidene-1~{H}-pyrimidin-4-yl]amino]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate | 組成式: | C9 H18 N5 O8 P | SMILES: | NC1=NC(=O)C(=C(NC[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)N1)N | InChi: | InChI=1S/C9H18N5O8P/c10-5-7(13-9(11)14-8(5)18)12-1-3(15)6(17)4(16)2-22-23(19,20)21/h3-4,6,15-17H,1-2,10H2,(H2,19,20,21)(H4,11,12,13,14,18)/t3-,4+,6-/m0/s1 | 定義日: | 2021-01-14 | 最終更新日: | 2021-07-09 | 公開日: | 2021-07-14 | 識別子(ID): | [(2~{R},3~{S},4~{S})-5-[[2,5-bis(azanyl)-4-oxidanylidene-1~{H}-pyrimidin-6-yl]amino]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate |
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![ZD1 ZD1](https://data.pdbj.org/pdbjplus/data/cc/svg/ZD1.svg) | ZD1 | 表記: | (1R,4S,5S,6R)-4-amino-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl alpha-D-glucopyranoside | 組成式: | C13 H23 N O9 | SMILES: | OCC1=CC(N)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O | InChi: | InChI=1S/C13H23NO9/c14-5-1-4(2-15)12(10(20)7(5)17)23-13-11(21)9(19)8(18)6(3-16)22-13/h1,5-13,15-21H,2-3,14H2/t5-,6+,7-,8+,9-,10+,11+,12+,13+/m0/s1 | 定義日: | 2021-04-14 | 最終更新日: | 2021-07-09 | 公開日: | 2021-07-14 | 識別子(ID): | (1R,4S,5S,6R)-4-amino-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl alpha-D-glucopyranoside |
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![ZGM ZGM](https://data.pdbj.org/pdbjplus/data/cc/svg/ZGM.svg) | ZGM | 表記: | (4S)-4-hydroxy-2-oxoheptanedioic acid | 組成式: | C7 H10 O6 | SMILES: | O=C(CC(O)CCC(O)=O)C(=O)O | InChi: | InChI=1S/C7H10O6/c8-4(1-2-6(10)11)3-5(9)7(12)13/h4,8H,1-3H2,(H,10,11)(H,12,13)/t4-/m0/s1 | 定義日: | 2021-04-20 | 最終更新日: | 2021-07-09 | 公開日: | 2021-07-14 | 識別子(ID): | (4S)-4-hydroxy-2-oxoheptanedioic acid |
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![ZL4 ZL4](https://data.pdbj.org/pdbjplus/data/cc/svg/ZL4.svg) | ZL4 | 表記: | (1R,3S,6S,18R,27R)-6-(6,6-dihydroxyoctyl)-5,8,18,27,34-pentaazahexacyclo[25.2.2.1~7,10~.1~11,15~.1~14,18~.0~1,3~]tetratriaconta-7,9,11(33),12,14,16-hexaene-4,32-dione (non-preferred name) | 組成式: | C37 H54 N5 O4 | SMILES: | CCC(O)(O)CCCCCC1NC(=O)C2CC32CCN(CCCCCCCC[n+]2ccc4cc(ccc4c2O)c2cnc1[NH]2)CC3 | InChi: | InChI=1S/C37H53N5O4/c1-2-37(45,46)16-9-7-8-12-31-33-38-26-32(39-33)28-13-14-29-27(24-28)15-21-42(35(29)44)20-11-6-4-3-5-10-19-41-22-17-36(18-23-41)25-30(36)34(43)40-31/h13-15,21,24,26,30-31,45-46H,2-12,16-20,22-23,25H2,1H3,(H2,38,39,40,43,44)/p+1/t30-,31+/m1/s1 | 定義日: | 2021-05-04 | 最終更新日: | 2021-07-09 | 公開日: | 2021-07-14 | 識別子(ID): | (1S,3S,6S,27R)-6-(6,6-dihydroxyoctyl)-32-hydroxy-4-oxo-5,8,18,27,34-pentaazahexacyclo[25.2.2.1~7,10~.1~11,15~.1~14,18~.0~1,3~]tetratriaconta-7,9,11(33),12,14,16,18(32)-heptaen-18-ium (non-preferred name) |
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![ZLS ZLS](https://data.pdbj.org/pdbjplus/data/cc/svg/ZLS.svg) | ZLS | 表記: | (1S)-N-[(1S)-7,7-dihydroxy-1-{4-[(1R,4S)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-6-yl]-1H-imidazol-2-yl}nonyl]-6-methyl-6-azaspiro[2.5]octane-1-carboxamide | 組成式: | C32 H46 N4 O3 | SMILES: | CN1CCC2(CC2C(=O)NC(CCCCCC(O)(O)CC)c2nc(c[NH]2)c2ccc3C4CCC(C4)c3c2)CC1 | InChi: | InChI=1S/C32H46N4O3/c1-3-32(38,39)12-6-4-5-7-27(35-30(37)26-19-31(26)13-15-36(2)16-14-31)29-33-20-28(34-29)23-10-11-24-21-8-9-22(17-21)25(24)18-23/h10-11,18,20-22,26-27,38-39H,3-9,12-17,19H2,1-2H3,(H,33,34)(H,35,37)/t21-,22+,26-,27+/m1/s1 | 定義日: | 2021-05-05 | 最終更新日: | 2021-07-09 | 公開日: | 2021-07-14 | 識別子(ID): | (1S)-N-[(1S)-7,7-dihydroxy-1-{4-[(1R,4S)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-6-yl]-1H-imidazol-2-yl}nonyl]-6-methyl-6-azaspiro[2.5]octane-1-carboxamide |
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![ZLV ZLV](https://data.pdbj.org/pdbjplus/data/cc/svg/ZLV.svg) | ZLV | 表記: | (3S,18S,20aR)-18-(6,6-dihydroxyoctyl)-1,5,6,7,8,18,19,20a-octahydro-4H-14,17-epiminoazeto[1,2-g][1,7,10,13]benzoxatriazacycloheptadecin-20(2H)-one | 組成式: | C27 H40 N4 O4 | SMILES: | CCC(O)(O)CCCCCC1NC(=O)C2CCN2CCCCCOc2ccccc2c2cnc1[NH]2 | InChi: | InChI=1S/C27H40N4O4/c1-2-27(33,34)15-8-3-5-12-21-25-28-19-22(29-25)20-11-6-7-13-24(20)35-18-10-4-9-16-31-17-14-23(31)26(32)30-21/h6-7,11,13,19,21,23,33-34H,2-5,8-10,12,14-18H2,1H3,(H,28,29)(H,30,32)/t21-,23+/m0/s1 | 定義日: | 2021-05-05 | 最終更新日: | 2021-07-09 | 公開日: | 2021-07-14 | 識別子(ID): | (3S,18S,20aR)-18-(6,6-dihydroxyoctyl)-1,5,6,7,8,18,19,20a-octahydro-4H-14,17-epiminoazeto[1,2-g][1,7,10,13]benzoxatriazacycloheptadecin-20(2H)-one |
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![FZX FZX](https://data.pdbj.org/pdbjplus/data/cc/svg/FZX.svg) | FZX | 表記: | 1-(phenylmethyl)imidazole-2-carboxylic acid | 組成式: | C11 H10 N2 O2 | SMILES: | OC(=O)c1nccn1Cc2ccccc2 | InChi: | InChI=1S/C11H10N2O2/c14-11(15)10-12-6-7-13(10)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,14,15) | 定義日: | 2020-07-13 | 最終更新日: | 2021-07-09 | 公開日: | 2021-07-14 | 識別子(ID): | 1-(phenylmethyl)imidazole-2-carboxylic acid |
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![G0O G0O](https://data.pdbj.org/pdbjplus/data/cc/svg/G0O.svg) | G0O | 表記: | (S)-N-(3-(2H-tetrazol-5-yl)phenyl)-3-mercapto-2-methylpropanamide | 組成式: | C11 H13 N5 O S | SMILES: | C[CH](CS)C(=O)Nc1cccc(c1)c2n[nH]nn2 | InChi: | InChI=1S/C11H13N5OS/c1-7(6-18)11(17)12-9-4-2-3-8(5-9)10-13-15-16-14-10/h2-5,7,18H,6H2,1H3,(H,12,17)(H,13,14,15,16)/t7-/m1/s1 | 定義日: | 2020-07-14 | 最終更新日: | 2021-07-09 | 公開日: | 2021-07-14 | 識別子(ID): | (2~{S})-2-methyl-3-sulfanyl-~{N}-[3-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]propanamide |
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![G0X G0X](https://data.pdbj.org/pdbjplus/data/cc/svg/G0X.svg) | G0X | 表記: | 3-oxidanyl-2-[3,5,6-tris(chloranyl)-4-[(4-chlorophenyl)methylamino]pyridin-2-yl]carbonyl-cyclohex-2-en-1-one | 組成式: | C19 H14 Cl4 N2 O3 | SMILES: | OC1=C(C(=O)CCC1)C(=O)c2nc(Cl)c(Cl)c(NCc3ccc(Cl)cc3)c2Cl | InChi: | InChI=1S/C19H14Cl4N2O3/c20-10-6-4-9(5-7-10)8-24-16-14(21)17(25-19(23)15(16)22)18(28)13-11(26)2-1-3-12(13)27/h4-7,26H,1-3,8H2,(H,24,25) | 定義日: | 2020-07-15 | 最終更新日: | 2021-07-09 | 公開日: | 2021-07-14 | 識別子(ID): | 3-oxidanyl-2-[3,5,6-tris(chloranyl)-4-[(4-chlorophenyl)methylamino]pyridin-2-yl]carbonyl-cyclohex-2-en-1-one |
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![H3X H3X](https://data.pdbj.org/pdbjplus/data/cc/svg/H3X.svg) | H3X | 表記: | methyl (3'~{a}~{R},4'~{S},5'~{S},5~{a}~{S},6~{S},7~{S},9~{a}~{R})-1,1,3'~{a},4',5~{a},7,7'-heptamethyl-3,6'-bis(oxidanylidene)spiro[4,5,7,8,9,9~{a}-hexahydrobenzo[c]oxepine-6,2'-4,5-dihydro-3~{H}-1-benzofuran]-5'-carboxylate | 組成式: | C26 H38 O6 | SMILES: | COC(=O)[CH]1[CH](C)[C]2(C)C[C]3(OC2=C(C)C1=O)[CH](C)CC[CH]4C(C)(C)OC(=O)CC[C]34C | InChi: | InChI=1S/C26H38O6/c1-14-9-10-17-23(4,5)31-18(27)11-12-25(17,7)26(14)13-24(6)16(3)19(22(29)30-8)20(28)15(2)21(24)32-26/h14,16-17,19H,9-13H2,1-8H3/t14-,16-,17-,19-,24+,25-,26-/m0/s1 | 定義日: | 2020-11-02 | 最終更新日: | 2021-07-09 | 公開日: | 2021-07-14 | 識別子(ID): | methyl (3'~{a}~{R},4'~{S},5'~{S},5~{a}~{S},6~{S},7~{S},9~{a}~{R})-1,1,3'~{a},4',5~{a},7,7'-heptamethyl-3,6'-bis(oxidanylidene)spiro[4,5,7,8,9,9~{a}-hexahydrobenzo[c]oxepine-6,2'-4,5-dihydro-3~{H}-1-benzofuran]-5'-carboxylate |
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![U7Z U7Z](https://data.pdbj.org/pdbjplus/data/cc/svg/U7Z.svg) | U7Z | 表記: | 4-[4-(2-chlorophenyl)carbonylpiperazin-1-yl]carbonylbenzenesulfonamide | 組成式: | C18 H18 Cl N3 O4 S | SMILES: | N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCN(CC2)C(=O)c3ccccc3Cl | InChi: | InChI=1S/C18H18ClN3O4S/c19-16-4-2-1-3-15(16)18(24)22-11-9-21(10-12-22)17(23)13-5-7-14(8-6-13)27(20,25)26/h1-8H,9-12H2,(H2,20,25,26) | 別名: | 4-(4-aroylpiperazine-1-carbonyl)benzenesulfonamide derivative | 定義日: | 2021-01-28 | 最終更新日: | 2021-07-09 | 公開日: | 2021-07-14 | 識別子(ID): | 4-[4-(2-chlorophenyl)carbonylpiperazin-1-yl]carbonylbenzenesulfonamide |
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![UFW UFW](https://data.pdbj.org/pdbjplus/data/cc/svg/UFW.svg) | UFW | 表記: | ((4S)-1,3-dimesityl-4-((5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)methyl)imidazolidin-2-yl)gold | 組成式: | C32 H43 Au N5 O2 S | SMILES: | Cc1cc(C)c(N2C[CH](CNC(=O)CCCC[CH]3SC[CH]4NC(=O)N[CH]34)N(C2=[Au])c5c(C)cc(C)cc5C)c(C)c1 | InChi: | InChI=1S/C32H43N5O2S.Au/c1-19-11-21(3)30(22(4)12-19)36-16-25(37(18-36)31-23(5)13-20(2)14-24(31)6)15-33-28(38)10-8-7-9-27-29-26(17-40-27)34-32(39)35-29 | 別名: | [(4~{S})-4-[[5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]methyl]-1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]gold | 定義日: | 2021-02-14 | 最終更新日: | 2021-07-09 | 公開日: | 2021-07-14 | 識別子(ID): | [(4~{S})-4-[[5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]methyl]-1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]gold |
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