![YYQ YYQ](https://data.pdbj.org/pdbjplus/data/cc/svg/YYQ.svg) | YYQ | 表記: | 2-acetamido-2-deoxy-alpha-L-galactopyranose | 組成式: | C8 H15 N O6 | SMILES: | O=C(NC1C(O)C(O)C(OC1O)CO)C | InChi: | InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8+/m0/s1 | 別名: | N-acetyl-alpha-L-galactosamine | 定義日: | 2012-12-17 | 最終更新日: | 2023-09-20 | 公開日: | 2020-07-29 | 識別子(ID): | 2-(acetylamino)-2-deoxy-alpha-L-galactopyranose |
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![7UH 7UH](https://data.pdbj.org/pdbjplus/data/cc/svg/7UH.svg) | 7UH | 表記: | Doxofylline | 組成式: | C11 H14 N4 O4 | SMILES: | CN1C(=O)N(C)c2ncn(CC3OCCO3)c2C1=O | InChi: | InChI=1S/C11H14N4O4/c1-13-9-8(10(16)14(2)11(13)17)15(6-12-9)5-7-18-3-4-19-7/h6-7H,3-5H2,1-2H3 | 別名: | 7-(1,3-dioxolan-2-ylmethyl)-1,3-dimethyl-purine-2,6-dione | 定義日: | 2021-10-27 | 最終更新日: | 2023-09-20 | 公開日: | 2023-02-01 | 識別子(ID): | 7-(1,3-dioxolan-2-ylmethyl)-1,3-dimethyl-purine-2,6-dione |
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![2SI 2SI](https://data.pdbj.org/pdbjplus/data/cc/svg/2SI.svg) | 2SI | 表記: | 2-O-SULFO-A-L-IDURONIC ACID | 組成式: | C6 H10 O10 S | SMILES: | O=S(=O)(OC1C(O)C(O)C(OC1O)C(=O)O)O | InChi: | InChI=1/C6H10O10S/c7-1-2(8)4(16-17(12,13)14)6(11)15-3(1)5(9)10/h1-4,6-8,11H,(H,9,10)(H,12,13,14)/t1-,2-,3+,4+,6+/m0/s1/f/h9,12H | 定義日: | 2000-04-05 | 最終更新日: | 2023-09-18 | 識別子(ID): | 2-O-sulfo-alpha-L-idopyranuronic acid |
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![I8Z I8Z](https://data.pdbj.org/pdbjplus/data/cc/svg/I8Z.svg) | I8Z | 表記: | Alpha-D-ribose-1,2-cyclic-phosphate-5-phosphate | 組成式: | C5 H10 O10 P2 | SMILES: | O[CH]1[CH](CO[P](O)(O)=O)O[CH]2O[P](O)(=O)O[CH]12 | InChi: | InChI=1S/C5H10O10P2/c6-3-2(1-12-16(7,8)9)13-5-4(3)14-17(10,11)15-5/h2-6H,1H2,(H,10,11)(H2,7,8,9)/t2-,3-,4-,5-/m1/s1 | 別名: | [(5~{R},6~{R})-2,6-bis(oxidanyl)-2-oxidanylidene-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3,2]dioxaphosphol-5-yl]methyl dihydrogen phosphate | 定義日: | 2022-02-25 | 最終更新日: | 2023-09-18 | 公開日: | 2022-05-25 | 識別子(ID): | [(3~{a}~{R},5~{R},6~{R},6~{a}~{R})-2,6-bis(oxidanyl)-2-oxidanylidene-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3,2]dioxaphosphol-5-yl]methyl dihydrogen phosphate |
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![QHD QHD](https://data.pdbj.org/pdbjplus/data/cc/svg/QHD.svg) | QHD | 表記: | (2~{R})-2-[(2~{R})-2-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{R},4~{S},5~{S})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-2-oxidanyl-2-phosphonooxy-ethyl]-2-oxidanyl-butanedioic acid | 組成式: | C27 H45 N7 O26 P4 S | SMILES: | CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCS[C](O)(C[C](O)(CC(O)=O)C(O)=O)O[P](O)(O)=O | InChi: | InChI=1S/C27H45N7O26P4S/c1-25(2,19(39)22(40)30-4-3-14(35)29-5-6-65-27(44,59-62(48,49)50)9-26(43,24(41)42)7-15(36)37)10-56-64(53,54)60-63(51,52)55-8-13-18(58-61(45,46)47)17(38)23(57-13)34-12-33-16-20(28)31-11-32-21(16)34/h11-13,17-19,23,38-39,43-44H,3-10H2,1-2H3,(H,29,35)(H,30,40)(H,36,37)(H,41,42)(H,51,52)(H,53,54)(H2,28,31,32)(H2,45,46,47)(H2,48,49,50)/t13-,17+,18+,19+,23+,26-,27-/m1/s1 | 定義日: | 2019-11-04 | 最終更新日: | 2023-09-18 | 公開日: | 2019-12-25 | 識別子(ID): | (2~{R})-2-[(2~{R})-2-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{R},4~{S},5~{S})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-2-oxidanyl-2-phosphonooxy-ethyl]-2-oxidanyl-butanedioic acid |
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![ON8 ON8](https://data.pdbj.org/pdbjplus/data/cc/svg/ON8.svg) | ON8 | 表記: | 1-[(3~{S})-3-azanyl-4-oxidanylidene-butoxy]guanidine | 組成式: | C5 H12 N4 O2 | SMILES: | N[CH](CCONC(N)=N)C=O | InChi: | InChI=1S/C5H12N4O2/c6-4(3-10)1-2-11-9-5(7)8/h3-4H,1-2,6H2,(H4,7,8,9)/t4-/m0/s1 | 定義日: | 2020-03-20 | 最終更新日: | 2023-09-18 | 公開日: | 2021-02-17 | 識別子(ID): | 1-[(3~{S})-3-azanyl-4-oxidanylidene-butoxy]guanidine |
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![Q7O Q7O](https://data.pdbj.org/pdbjplus/data/cc/svg/Q7O.svg) | Q7O | 表記: | (2R,4R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-(2-methanimidamidoethylsulfanyl)-3,4-dihydro-2H-pyrrole-5-carboxylic acid | 組成式: | C12 H19 N3 O5 S | SMILES: | C[CH](O)[CH]([CH]1C[CH](SCCNC=N)C(=N1)C(O)=O)C(O)=O | InChi: | InChI=1S/C12H19N3O5S/c1-6(16)9(11(17)18)7-4-8(10(15-7)12(19)20)21-3-2-14-5-13/h5-9,16H,2-4H2,1H3,(H2,13,14)(H,17,18)(H,19,20)/t6-,7-,8-,9-/m1/s1 | 別名: | Hydrolyzed Imipenem | 定義日: | 2022-10-14 | 最終更新日: | 2023-09-18 | 公開日: | 2023-03-08 | 識別子(ID): | (2~{R},4~{R})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-(2-methanimidamidoethylsulfanyl)-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid |
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![PMW PMW](https://data.pdbj.org/pdbjplus/data/cc/svg/PMW.svg) | PMW | 表記: | methyl (2R)-2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]butanoate | 組成式: | C22 H23 Cl N4 O2 S | SMILES: | CC[CH]([CH]1N=C(c2ccc(Cl)cc2)c3c(C)c(C)sc3n4c(C)nnc14)C(=O)OC | InChi: | InChI=1S/C22H23ClN4O2S/c1-6-16(22(28)29-5)19-20-26-25-13(4)27(20)21-17(11(2)12(3)30-21)18(24-19)14-7-9-15(23)10-8-14/h7-10,16,19H,6H2,1-5H3/t16-,19+/m1/s1 | 定義日: | 2020-04-26 | 最終更新日: | 2023-09-18 | 公開日: | 2020-05-27 | 識別子(ID): | methyl (2~{R})-2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]butanoate |
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![F3O F3O](https://data.pdbj.org/pdbjplus/data/cc/svg/F3O.svg) | F3O | 表記: | 3'-O-L-phenylalanyladenosine 5'-(dihydrogen phosphate) | 組成式: | C19 H23 N6 O8 P | SMILES: | O=P(O)(O)OCC4OC(n2cnc1c(ncnc12)N)C(O)C4OC(=O)C(N)Cc3ccccc3 | InChi: | InChI=1S/C19H23N6O8P/c20-11(6-10-4-2-1-3-5-10)19(27)33-15-12(7-31-34(28,29)30)32-18(14(15)26)25-9-24-13-16(21)22-8-23-17(13)25/h1-5,8-9,11-12,14-15,18,26H,6-7,20H2,(H2,21,22,23)(H2,28,29,30)/t11-,12+,14+,15+,18+/m0/s1 | 定義日: | 2014-07-01 | 最終更新日: | 2023-09-18 | 公開日: | 2014-10-01 | 識別子(ID): | 3'-O-L-phenylalanyladenosine 5'-(dihydrogen phosphate) |
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![O18 O18](https://data.pdbj.org/pdbjplus/data/cc/svg/O18.svg) | O18 | 表記: | O-palmitoleoyl serine | 組成式: | C19 H35 N O4 | SMILES: | CCCCCCC=CCCCCCCCC(=O)OC[CH](N)C(O)=O | InChi: | InChI=1S/C19H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)24-16-17(20)19(22)23/h7-8,17H,2-6,9-16,20H2,1H3,(H,22,23)/b8-7-/t17-/m0/s1 | 別名: | (2S)-2-azanyl-3-[(Z)-hexadec-9-enoyl]oxy-propanoic acid | 定義日: | 2020-01-17 | 最終更新日: | 2023-09-18 | 公開日: | 2020-07-29 | 識別子(ID): | (2~{S})-2-azanyl-3-[(~{Z})-hexadec-9-enoyl]oxy-propanoic acid |
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![E7U E7U](https://data.pdbj.org/pdbjplus/data/cc/svg/E7U.svg) | E7U | 表記: | (1S,2R,3R,4R,5'S,6S,7S,8S,9R,12R,13R,15S,16S,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-oxane]-3,15,16-triol | 組成式: | C27 H44 O5 | SMILES: | C[CH]1CC[C]2(OC1)O[CH]3[CH](O)[CH]4[CH]5CC[CH]6C[CH](O)[CH](O)C[C]6(C)[CH]5CC[C]4(C)[CH]3[CH]2C | InChi: | InChI=1S/C27H44O5/c1-14-7-10-27(31-13-14)15(2)21-24(32-27)23(30)22-17-6-5-16-11-19(28)20(29)12-26(16,4)18(17)8-9-25(21,22)3/h14-24,28-30H,5-13H2,1-4H3/t14-,15-,16+,17-,18+,19-,20-,21+,22-,23+,24+,25-,26+,27-/m0/s1 | 定義日: | 2019-11-13 | 最終更新日: | 2023-09-18 | 公開日: | 2020-02-19 | 識別子(ID): | (1~{S},2~{R},3~{R},4~{R},5'~{S},6~{S},7~{S},8~{S},9~{R},12~{R},13~{R},15~{S},16~{S},18~{R})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-oxane]-3,15,16-triol |
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![VY5 VY5](https://data.pdbj.org/pdbjplus/data/cc/svg/VY5.svg) | VY5 | 表記: | 2-acetamido-4-O-(2-acetamido-2-deoxy-beta-D-glucopyranosyl)-2-deoxy-alpha-D-glucopyranose | 組成式: | C16 H28 N2 O11 | SMILES: | CC(=O)NC1C(O)C(OC2OC(CO)C(O)C(O)C2NC(C)=O)C(CO)OC1O | InChi: | InChI=1S/C16H28N2O11/c1-5(21)17-9-13(25)14(8(4-20)27-15(9)26)29-16-10(18-6(2)22)12(24)11(23)7(3-19)28-16/h7-16,19-20,23-26H,3-4H2,1-2H3,(H,17,21)(H,18,22)/t7-,8-,9-,10-,11-,12-,13-,14-,15+,16+/m1/s1 | 別名: | N,N'-Diacetylchitobiose | 定義日: | 2022-05-20 | 最終更新日: | 2023-09-18 | 公開日: | 2022-06-22 | 識別子(ID): | 2-acetamido-4-O-(2-acetamido-2-deoxy-beta-D-glucopyranosyl)-2-deoxy-alpha-D-glucopyranose |
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![WB8 WB8](https://data.pdbj.org/pdbjplus/data/cc/svg/WB8.svg) | WB8 | 表記: | (4~{Z})-2-(1-adamantylamino)-4-(1,3-benzothiazol-6-ylmethylidene)-1~{H}-imidazol-5-one | 組成式: | C21 H22 N4 O S | SMILES: | O=C1NC(=NC1=Cc2ccc3ncsc3c2)NC45CC6CC(CC(C6)C4)C5 | InChi: | InChI=1S/C21H22N4OS/c26-19-17(6-12-1-2-16-18(7-12)27-11-22-16)23-20(24-19)25-21-8-13-3-14(9-21)5-15(4-13)10-21/h1-2,6-7,11,13-15H,3-5,8-10H2,(H2,23,24,25,26)/b17-6-/t13-,14+,15-,21- | 定義日: | 2023-05-10 | 最終更新日: | 2023-09-18 | 公開日: | 2023-05-17 | 識別子(ID): | (4~{Z})-2-(1-adamantylamino)-4-(1,3-benzothiazol-6-ylmethylidene)-1~{H}-imidazol-5-one |
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![M88 M88](https://data.pdbj.org/pdbjplus/data/cc/svg/M88.svg) | M88 | 表記: | 1-(8Z-hexadecenoyl)-sn-glycerol | 組成式: | C19 H36 O4 | SMILES: | CCCCCCCC=CCCCCCCC(=O)OC[CH](O)CO | InChi: | InChI=1S/C19H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h8-9,18,20-21H,2-7,10-17H2,1H3/b9-8-/t18-/m0/s1 | 別名: | 2,3-dihydroxypropyl (Z)-hexadec-8-enoate | 定義日: | 2018-01-03 | 最終更新日: | 2023-09-16 | 公開日: | 2021-02-03 | 識別子(ID): | [(2~{S})-2,3-bis(oxidanyl)propyl] (~{Z})-hexadec-8-enoate |
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![ZLE ZLE](https://data.pdbj.org/pdbjplus/data/cc/svg/ZLE.svg) | ZLE | 表記: | ~{N}-[3-(2-azanylpyridin-4-yl)phenyl]propanamide | 組成式: | C14 H15 N3 O | SMILES: | CCC(=O)Nc1cccc(c1)c2ccnc(N)c2 | InChi: | InChI=1S/C14H15N3O/c1-2-14(18)17-12-5-3-4-10(8-12)11-6-7-16-13(15)9-11/h3-9H,2H2,1H3,(H2,15,16)(H,17,18) | 定義日: | 2023-06-28 | 最終更新日: | 2023-09-15 | 公開日: | 2023-09-20 | 識別子(ID): | ~{N}-[3-(2-azanylpyridin-4-yl)phenyl]propanamide |
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![YNL YNL](https://data.pdbj.org/pdbjplus/data/cc/svg/YNL.svg) | YNL | 表記: | (5M)-1-(2-aminoethyl)-7-chloro-5-(2-fluorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one | 組成式: | C17 H15 Cl F N3 O | SMILES: | Fc1ccccc1C1=NCC(=O)N(CCN)c2ccc(Cl)cc21 | InChi: | InChI=1S/C17H15ClFN3O/c18-11-5-6-15-13(9-11)17(12-3-1-2-4-14(12)19)21-10-16(23)22(15)8-7-20/h1-6,9H,7-8,10,20H2 | 定義日: | 2023-02-13 | 最終更新日: | 2023-09-15 | 公開日: | 2023-09-20 | 識別子(ID): | (5M)-1-(2-aminoethyl)-7-chloro-5-(2-fluorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one |
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![ZR2 ZR2](https://data.pdbj.org/pdbjplus/data/cc/svg/ZR2.svg) | ZR2 | 表記: | 6-O-[(2R,3R)-3-hydroxy-20-{(1R,2S)-2-[(17R,18R)-17-methoxy-18-methyldotriacontyl]cyclopropyl}-2-pentadecylicosanoyl]-alpha-L-galactopyranose | 組成式: | C78 H152 O9 | SMILES: | OC1C(O)C(COC(=O)C(CCCCCCCCCCCCCCC)C(O)CCCCCCCCCCCCCCCCCC2CC2CCCCCCCCCCCCCCCCC(OC)C(C)CCCCCCCCCCCCCC)OC(O)C1O | InChi: | InChI=1S/C78H152O9/c1-5-7-9-11-13-15-17-24-32-38-44-50-56-62-70(77(83)86-66-73-74(80)75(81)76(82)78(84)87-73)71(79)63-57-51-45-39-33-27-21-19-20-25-30-36-42-48-54-60-68-65-69(68)61-55-49-43-37-31-26-22-23-28-34-40-46-52-58-64-72(85-4)67(3)59-53-47-41-35-29-18-16-14-12-10-8-6-2/h67-76,78-82,84H,5-66H2,1-4H3/t67-,68-,69+,70-,71-,72-,73+,74-,75-,76+,78-/m1/s1 | 定義日: | 2023-03-22 | 最終更新日: | 2023-09-15 | 公開日: | 2023-09-20 | 識別子(ID): | 6-O-[(2R,3R)-3-hydroxy-20-{(1R,2S)-2-[(17R,18R)-17-methoxy-18-methyldotriacontyl]cyclopropyl}-2-pentadecylicosanoyl]-alpha-L-galactopyranose |
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![Y7C Y7C](https://data.pdbj.org/pdbjplus/data/cc/svg/Y7C.svg) | Y7C | 表記: | 3-chloro-N-(1-propyl-1H-tetrazol-5-yl)benzamide | 組成式: | C11 H12 Cl N5 O | SMILES: | CCCn1nnnc1NC(=O)c1cccc(Cl)c1 | InChi: | InChI=1S/C11H12ClN5O/c1-2-6-17-11(14-15-16-17)13-10(18)8-4-3-5-9(12)7-8/h3-5,7H,2,6H2,1H3,(H,13,14,16,18) | 定義日: | 2023-01-09 | 最終更新日: | 2023-09-15 | 公開日: | 2023-09-20 | 識別子(ID): | 3-chloro-N-(1-propyl-1H-tetrazol-5-yl)benzamide |
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![ZI9 ZI9](https://data.pdbj.org/pdbjplus/data/cc/svg/ZI9.svg) | ZI9 | 表記: | 3-[(6-ethynyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-bis(fluoranyl)benzamide | 組成式: | C16 H9 F2 N3 O2 S | SMILES: | NC(=O)c1c(F)ccc(OCc2sc3ncc(cc3n2)C#C)c1F | InChi: | InChI=1S/C16H9F2N3O2S/c1-2-8-5-10-16(20-6-8)24-12(21-10)7-23-11-4-3-9(17)13(14(11)18)15(19)22/h1,3-6H,7H2,(H2,19,22) | 定義日: | 2023-01-05 | 最終更新日: | 2023-09-15 | 公開日: | 2023-09-20 | 識別子(ID): | 3-[(6-ethynyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-bis(fluoranyl)benzamide |
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![J8I J8I](https://data.pdbj.org/pdbjplus/data/cc/svg/J8I.svg) | J8I | 表記: | ~{N}-phenyl-~{N}-[1-[2-(4-sulfamoylphenyl)ethyl]piperidin-4-yl]propanamide | 組成式: | C22 H29 N3 O3 S | SMILES: | CCC(=O)N(C1CCN(CC1)CCc2ccc(cc2)[S](N)(=O)=O)c3ccccc3 | InChi: | InChI=1S/C22H29N3O3S/c1-2-22(26)25(19-6-4-3-5-7-19)20-13-16-24(17-14-20)15-12-18-8-10-21(11-9-18)29(23,27)28/h3-11,20H,2,12-17H2,1H3,(H2,23,27,28) | 定義日: | 2023-08-07 | 最終更新日: | 2023-09-15 | 公開日: | 2023-09-20 | 識別子(ID): | ~{N}-phenyl-~{N}-[1-[2-(4-sulfamoylphenyl)ethyl]piperidin-4-yl]propanamide |
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![M79 M79](https://data.pdbj.org/pdbjplus/data/cc/svg/M79.svg) | M79 | 表記: | 2-chloranyl-N-[[1-(2-methyl-2-phenylazanyl-propanoyl)piperidin-4-yl]methyl]ethanamide | 組成式: | C18 H26 Cl N3 O2 | SMILES: | CC(C)(Nc1ccccc1)C(=O)N2CCC(CC2)CNC(=O)CCl | InChi: | InChI=1S/C18H26ClN3O2/c1-18(2,21-15-6-4-3-5-7-15)17(24)22-10-8-14(9-11-22)13-20-16(23)12-19/h3-7,14,21H,8-13H2,1-2H3,(H,20,23) | 定義日: | 2022-07-25 | 最終更新日: | 2023-09-15 | 公開日: | 2023-09-20 | 識別子(ID): | 2-chloranyl-~{N}-[[1-(2-methyl-2-phenylazanyl-propanoyl)piperidin-4-yl]methyl]ethanamide |
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![IC2 IC2](https://data.pdbj.org/pdbjplus/data/cc/svg/IC2.svg) | IC2 | 表記: | 5,5-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione | 組成式: | C20 H17 F3 N4 O2 S | SMILES: | CC1(C)N(Cc2c[nH]c3ncccc23)C(=O)N(C1=O)c4ccc(SC(F)(F)F)cc4 | InChi: | InChI=1S/C20H17F3N4O2S/c1-19(2)17(28)27(13-5-7-14(8-6-13)30-20(21,22)23)18(29)26(19)11-12-10-25-16-15(12)4-3-9-24-16/h3-10H,11H2,1-2H3,(H,24,25) | 定義日: | 2023-07-28 | 最終更新日: | 2023-09-15 | 公開日: | 2023-09-20 | 識別子(ID): | 5,5-dimethyl-1-(1~{H}-pyrrolo[2,3-b]pyridin-3-ylmethyl)-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione |
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![ICV ICV](https://data.pdbj.org/pdbjplus/data/cc/svg/ICV.svg) | ICV | 表記: | 5,5-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione | 組成式: | C20 H17 F3 N4 O4 S | SMILES: | CC1(C)N(Cc2ccnc3[nH]ccc23)C(=O)N(C1=O)c4ccc(cc4)[S](=O)(=O)C(F)(F)F | InChi: | InChI=1S/C20H17F3N4O4S/c1-19(2)17(28)27(13-3-5-14(6-4-13)32(30,31)20(21,22)23)18(29)26(19)11-12-7-9-24-16-15(12)8-10-25-16/h3-10H,11H2,1-2H3,(H,24,25) | 定義日: | 2023-07-28 | 最終更新日: | 2023-09-15 | 公開日: | 2023-09-20 | 識別子(ID): | 5,5-dimethyl-1-(1~{H}-pyrrolo[2,3-b]pyridin-4-ylmethyl)-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione |
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![IE0 IE0](https://data.pdbj.org/pdbjplus/data/cc/svg/IE0.svg) | IE0 | 表記: | (5S)-5-methyl-1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione | 組成式: | C19 H15 F3 N4 O2 S | SMILES: | C[CH]1N(Cc2ccnc3[nH]ccc23)C(=O)N(C1=O)c4ccc(SC(F)(F)F)cc4 | InChi: | InChI=1S/C19H15F3N4O2S/c1-11-17(27)26(13-2-4-14(5-3-13)29-19(20,21)22)18(28)25(11)10-12-6-8-23-16-15(12)7-9-24-16/h2-9,11H,10H2,1H3,(H,23,24)/t11-/m0/s1 | 定義日: | 2023-07-28 | 最終更新日: | 2023-09-15 | 公開日: | 2023-09-20 | 識別子(ID): | (5~{S})-5-methyl-1-(1~{H}-pyrrolo[2,3-b]pyridin-4-ylmethyl)-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione |
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![IEA IEA](https://data.pdbj.org/pdbjplus/data/cc/svg/IEA.svg) | IEA | 表記: | 5,5-dimethyl-1-(quinolin-4-ylmethyl)-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione | 組成式: | C22 H18 F3 N3 O4 S | SMILES: | CC1(C)N(Cc2ccnc3ccccc23)C(=O)N(C1=O)c4ccc(cc4)[S](=O)(=O)C(F)(F)F | InChi: | InChI=1S/C22H18F3N3O4S/c1-21(2)19(29)28(15-7-9-16(10-8-15)33(31,32)22(23,24)25)20(30)27(21)13-14-11-12-26-18-6-4-3-5-17(14)18/h3-12H,13H2,1-2H3 | 定義日: | 2023-07-28 | 最終更新日: | 2023-09-15 | 公開日: | 2023-09-20 | 識別子(ID): | 5,5-dimethyl-1-(quinolin-4-ylmethyl)-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione |
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