![QBT QBT](https://data.pdbj.org/pdbjplus/data/cc/svg/QBT.svg) | QBT | 表記: | [(2R,3S,5R)-3-HYDROXY-5-[(5S)-5-METHYL-2,4-DIOXO-1,3-DIAZINAN-1-YL]OXOLAN-2-YL]METHYL DIHYDROGEN PHOSPHATE | 組成式: | C10 H17 N2 O8 P | SMILES: | C[CH]1CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)NC1=O | InChi: | InChI=1S/C10H17N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18/h5-8,13H,2-4H2,1H3,(H,11,14,15)(H2,16,17,18)/t5-,6-,7+,8+/m0/s1 | 定義日: | 2010-12-08 | 最終更新日: | 2022-06-13 | 識別子(ID): | [(2R,3S,5R)-3-hydroxy-5-[(5S)-5-methyl-2,4-dioxo-1,3-diazinan-1-yl]oxolan-2-yl]methyl dihydrogen phosphate |
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![XQS XQS](https://data.pdbj.org/pdbjplus/data/cc/svg/XQS.svg) | XQS | 表記: | sibrafiban (active form) | 組成式: | C18 H24 N4 O5 | SMILES: | C1(OCC(O)=O)CCN(CC1)C(=O)C(NC(c2ccc(/C(N)=N)cc2)=O)C | InChi: | InChI=1S/C18H24N4O5/c1-11(21-17(25)13-4-2-12(3-5-13)16(19)20)18(26)22-8-6-14(7-9-22)27-10-15(23)24/h2-5,11,14H,6-10H2,1H3,(H3,19,20)(H,21,25)(H,23,24)/t11-/m0/s1 | 別名: | ({1-[N-(4-carbamimidoylbenzene-1-carbonyl)-L-alanyl]piperidin-4-yl}oxy)acetic acid | 定義日: | 2021-01-04 | 最終更新日: | 2022-06-10 | 公開日: | 2022-06-15 | 識別子(ID): | ({1-[N-(4-carbamimidoylbenzene-1-carbonyl)-L-alanyl]piperidin-4-yl}oxy)acetic acid |
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![WW6 WW6](https://data.pdbj.org/pdbjplus/data/cc/svg/WW6.svg) | WW6 | 表記: | N-(5-aminopentyl)-5-chloronaphthalene-1-sulfonamide | 組成式: | C15 H19 Cl N2 O2 S | SMILES: | NCCCCCNS(=O)(=O)c1cccc2c1cccc2Cl | InChi: | InChI=1S/C15H19ClN2O2S/c16-14-8-4-7-13-12(14)6-5-9-15(13)21(19,20)18-11-3-1-2-10-17/h4-9,18H,1-3,10-11,17H2 | 定義日: | 2022-03-28 | 最終更新日: | 2022-06-10 | 公開日: | 2022-06-15 | 識別子(ID): | N-(5-aminopentyl)-5-chloronaphthalene-1-sulfonamide |
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![WW9 WW9](https://data.pdbj.org/pdbjplus/data/cc/svg/WW9.svg) | WW9 | 表記: | N-(7-aminoheptyl)-5-chloronaphthalene-1-sulfonamide | 組成式: | C17 H23 Cl N2 O2 S | SMILES: | NCCCCCCCNS(=O)(=O)c1cccc2c1cccc2Cl | InChi: | InChI=1S/C17H23ClN2O2S/c18-16-10-6-9-15-14(16)8-7-11-17(15)23(21,22)20-13-5-3-1-2-4-12-19/h6-11,20H,1-5,12-13,19H2 | 定義日: | 2022-03-28 | 最終更新日: | 2022-06-10 | 公開日: | 2022-06-15 | 識別子(ID): | N-(7-aminoheptyl)-5-chloronaphthalene-1-sulfonamide |
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![ZM2 ZM2](https://data.pdbj.org/pdbjplus/data/cc/svg/ZM2.svg) | ZM2 | 表記: | (1R,2S,3R,4R,5S,6S)-4-hydroxy-2,3,5,6-tetrakis(phosphonooxy)cyclohexyl trihydrogen diphosphate | 組成式: | C6 H18 O24 P6 | SMILES: | O=P(O)(O)OC1C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)OP(=O)(O)O | InChi: | InChI=1S/C6H18O24P6/c7-1-2(25-31(8,9)10)4(27-33(14,15)16)6(29-36(23,24)30-35(20,21)22)5(28-34(17,18)19)3(1)26-32(11,12)13/h1-7H,(H,23,24)(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)/t1-,2-,3+,4-,5-,6-/m0/s1 | 定義日: | 2022-01-21 | 最終更新日: | 2022-06-10 | 公開日: | 2022-06-15 | 識別子(ID): | (1R,2S,3R,4R,5S,6S)-4-hydroxy-2,3,5,6-tetrakis(phosphonooxy)cyclohexyl trihydrogen diphosphate |
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![G7R G7R](https://data.pdbj.org/pdbjplus/data/cc/svg/G7R.svg) | G7R | 表記: | 4-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxyquinazolin-2-amine | 組成式: | C31 H36 N4 O6 | SMILES: | COc1ccc(cc1OC)CCNc1nc2cc(OC)c(OC)cc2c(n1)N1Cc2cc(OC)c(cc2CC1)OC | InChi: | InChI=1S/C31H36N4O6/c1-36-24-8-7-19(13-25(24)37-2)9-11-32-31-33-23-17-29(41-6)28(40-5)16-22(23)30(34-31)35-12-10-20-14-26(38-3)27(39-4)15-21(20)18-35/h7-8,13-17H,9-12,18H2,1-6H3,(H,32,33,34) | 定義日: | 2021-12-17 | 最終更新日: | 2022-06-10 | 公開日: | 2022-06-15 | 識別子(ID): | 4-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxyquinazolin-2-amine |
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![E3W E3W](https://data.pdbj.org/pdbjplus/data/cc/svg/E3W.svg) | E3W | 表記: | 4'-{[5-amino-3-(4-sulfamoylanilino)-1H-1,2,4-triazole-1-carbonyl]amino}-4-(benzyloxy)[1,1'-biphenyl]-3-carboxylic acid | 組成式: | C29 H25 N7 O6 S | SMILES: | O=C(Nc1ccc(cc1)c1ccc(OCc2ccccc2)c(c1)C(=O)O)n1nc(Nc2ccc(cc2)S(N)(=O)=O)nc1N | InChi: | InChI=1S/C29H25N7O6S/c30-27-34-28(32-21-11-13-23(14-12-21)43(31,40)41)35-36(27)29(39)33-22-9-6-19(7-10-22)20-8-15-25(24(16-20)26(37)38)42-17-18-4-2-1-3-5-18/h1-16H,17H2,(H,33,39)(H,37,38)(H2,31,40,41)(H3,30,32,34,35) | 定義日: | 2021-12-01 | 最終更新日: | 2022-06-10 | 公開日: | 2022-06-15 | 識別子(ID): | 4'-{[5-amino-3-(4-sulfamoylanilino)-1H-1,2,4-triazole-1-carbonyl]amino}-4-(benzyloxy)[1,1'-biphenyl]-3-carboxylic acid |
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![7IC 7IC](https://data.pdbj.org/pdbjplus/data/cc/svg/7IC.svg) | 7IC | 表記: | 6-methyl-3-[(1S)-2-nitro-1-thiophen-2-yl-ethyl]-2-phenyl-1H-indole | 組成式: | C21 H18 N2 O2 S | SMILES: | Cc1ccc2c([nH]c(c3ccccc3)c2[CH](C[N+]([O-])=O)c4sccc4)c1 | InChi: | InChI=1S/C21H18N2O2S/c1-14-9-10-16-18(12-14)22-21(15-6-3-2-4-7-15)20(16)17(13-23(24)25)19-8-5-11-26-19/h2-12,17,22H,13H2,1H3/t17-/m0/s1 | 定義日: | 2021-10-05 | 最終更新日: | 2022-06-10 | 公開日: | 2022-06-15 | 識別子(ID): | 6-methyl-3-[(1~{S})-2-nitro-1-thiophen-2-yl-ethyl]-2-phenyl-1~{H}-indole |
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![7IR 7IR](https://data.pdbj.org/pdbjplus/data/cc/svg/7IR.svg) | 7IR | 表記: | (1S,10R,23E)-12-methyl-10-[(7-methyl-1H-indazol-5-yl)methyl]-15,18,21-trioxa-5,9,12,27,29-pentazapentacyclo[23.5.2.11,4.13,7.028,31]tetratriaconta-3(33),4,6,23,25(32),26,28(31)-heptaene-8,11,30-trione | 組成式: | C36 H39 N7 O6 | SMILES: | CN1CCOCCOCCOCC=Cc2cnc3NC(=O)[C]4(Cc5cc(cnc5C4)C(=O)N[CH](Cc6cc(C)c7[nH]ncc7c6)C1=O)c3c2 | InChi: | InChI=1S/C36H39N7O6/c1-22-12-24(13-26-21-39-42-31(22)26)15-29-34(45)43(2)5-7-48-9-11-49-10-8-47-6-3-4-23-14-28-32(38-19-23)41-35(46)36(28)17-25-16-27(33(44)40-29)20-37-30(25)18-36/h3-4,12-14,16,19-21,29H,5-11,15,17-18H2,1-2H3,(H,39,42)(H,40,44)(H,38,41,46)/b4-3+/t29-,36+/m1/s1 | 定義日: | 2021-08-09 | 最終更新日: | 2022-06-10 | 公開日: | 2022-06-15 |
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![7IU 7IU](https://data.pdbj.org/pdbjplus/data/cc/svg/7IU.svg) | 7IU | 表記: | (1S,20E)-10-(benzofuran-3-ylmethyl)-12-methyl-15,18-dioxa-5,9,12,24,26-pentazapentacyclo[20.5.2.11,4.13,7.025,28]hentriaconta-3(30),4,6,20,22(29),23,25(28)-heptaene-8,11,27-trione | 組成式: | C34 H33 N5 O6 | SMILES: | CN1CCOCCOCC=Cc2cnc3NC(=O)[C]4(Cc5cc(cnc5C4)C(=O)N[CH](Cc6coc7ccccc67)C1=O)c3c2 | InChi: | InChI=1S/C34H33N5O6/c1-39-8-10-44-12-11-43-9-4-5-21-13-26-30(36-18-21)38-33(42)34(26)16-22-14-23(19-35-28(22)17-34)31(40)37-27(32(39)41)15-24-20-45-29-7-3-2-6-25(24)29/h2-7,13-14,18-20,27H,8-12,15-17H2,1H3,(H,37,40)(H,36,38,42)/b5-4+/t27-,34+/m1/s1 | 定義日: | 2021-08-09 | 最終更新日: | 2022-06-10 | 公開日: | 2022-06-15 |
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![RKX RKX](https://data.pdbj.org/pdbjplus/data/cc/svg/RKX.svg) | RKX | 表記: | 4-methoxybenzenecarboximidamide | 組成式: | C8 H10 N2 O | SMILES: | COc1ccc(cc1)C(N)=N | InChi: | InChI=1S/C8H10N2O/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H3,9,10) | 定義日: | 2021-12-21 | 最終更新日: | 2022-06-10 | 公開日: | 2022-06-15 | 識別子(ID): | 4-methoxybenzenecarboximidamide |
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![7S3 7S3](https://data.pdbj.org/pdbjplus/data/cc/svg/7S3.svg) | 7S3 | 表記: | [(2R,3S,4R,5R)-5-(1-methyl-6-oxidanylidene-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate | 組成式: | C11 H15 N4 O8 P | SMILES: | CN1C=Nc2n(cnc2C1=O)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O | InChi: | InChI=1S/C11H15N4O8P/c1-14-3-13-9-6(10(14)18)12-4-15(9)11-8(17)7(16)5(23-11)2-22-24(19,20)21/h3-5,7-8,11,16-17H,2H2,1H3,(H2,19,20,21)/t5-,7-,8-,11-/m1/s1 | 別名: | 1-methyl inosinic acid | 定義日: | 2021-10-15 | 最終更新日: | 2022-06-08 | 公開日: | 2022-05-04 | 識別子(ID): | [(2~{R},3~{S},4~{R},5~{R})-5-(1-methyl-6-oxidanylidene-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate |
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![5FD 5FD](https://data.pdbj.org/pdbjplus/data/cc/svg/5FD.svg) | 5FD | 表記: | 5'-FLUORO-5'-DEOXYADENOSINE | 組成式: | C10 H12 F N5 O3 | SMILES: | Nc1ncnc2c1ncn2C1OC(CF)C(O)C1O | InChi: | InChI=1S/C10H12FN5O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H,1H2,(H2,12,13,14)/t4-,6-,7-,10-/m1/s1 | 定義日: | 2003-12-16 | 最終更新日: | 2022-06-06 | 識別子(ID): | 5'-deoxy-5'-fluoroadenosine |
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![SJH SJH](https://data.pdbj.org/pdbjplus/data/cc/svg/SJH.svg) | SJH | 表記: | (2R,3S,4R,5R,7S,9S,10S,11R,12S,13R)-12-(((2R,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-2-((S)-1-(((2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)propan-2-yl)-10-(((2S,3R,6R,E)-3-hydroxy-4-(methoxyimino)-6-methyltetrahydro-2H-pyran-2-yl)oxy)-3,5,7,9,11,13-hexamethyl-7-(((2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl)carbamoyl)oxy)-6,14-dioxooxacyclotetradecan-4-yl 3-methylbutanoate | 組成式: | C56 H93 N5 O22 | SMILES: | CON=C1C[CH](C)O[CH](O[CH]2[CH](C)C[C](C)(OC(=O)NCCn3c(C)ncc3[N+]([O-])=O)C(=O)[CH](C)[CH](OC(=O)CC(C)C)[CH](C)[CH](OC(=O)[CH](C)[CH](O[CH]4C[C](C)(O)[CH](O)[CH](C)O4)[CH]2C)[CH](C)CO[CH]5O[CH](C)[CH](O)[CH](OC)[CH]5OC)[CH]1O | InChi: | InChI=1S/C56H93N5O22/c1-26(2)20-39(62)79-45-31(7)44(28(4)25-75-53-48(73-16)47(72-15)41(63)34(10)78-53)81-51(67)33(9)46(80-40-23-55(13,69)50(66)35(11)77-40)30(6)43(82-52-42(64)37(59-74-17)21-29(5)76-52)27(3)22-56(14,49(65)32(45)8)83-54(68)57-18-19-60-36(12)58-24-38(60)61(70)71/h24,26-35,40-48,50,52-53,63-64,66,69H,18-23,25H2,1-17H3,(H,57,68)/b59-37+/t27-,28-,29+,30+,31-,32+,33+,34+,35-,40-,41+,42+,43-,44+,45+,46-,47+,48+,50-,52-,53+,55+,56-/m0/s1 | 別名: | [(2~{R},3~{S},4~{R},5~{R},7~{S},9~{S},10~{S},11~{R},12~{S},13~{R})-2-[(2~{S})-1-[(2~{R},3~{R},4~{R},5~{R},6~{R})-3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxypropan-2-yl]-12-[(2~{R},4~{R},5~{S},6~{S})-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-10-[(2~{S},3~{R},4~{E},6~{R})-4-methoxyimino-6-methyl-3-oxidanyl-oxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-7-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylcarbamoyloxy]-6,14-bis(oxidanylidene)-1-oxacyclotetradec-4-yl] 3-methylbutanoate | 定義日: | 2020-11-17 | 最終更新日: | 2022-06-03 | 公開日: | 2022-06-08 | 識別子(ID): | [(2~{R},3~{S},4~{R},5~{R},7~{S},9~{S},10~{S},11~{R},12~{S},13~{R})-2-[(2~{S})-1-[(2~{R},3~{R},4~{R},5~{R},6~{R})-3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxypropan-2-yl]-12-[(2~{R},4~{R},5~{S},6~{S})-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-10-[(2~{S},3~{R},4~{E},6~{R})-4-methoxyimino-6-methyl-3-oxidanyl-oxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-7-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylcarbamoyloxy]-6,14-bis(oxidanylidene)-1-oxacyclotetradec-4-yl] 3-methylbutanoate |
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![SOK SOK](https://data.pdbj.org/pdbjplus/data/cc/svg/SOK.svg) | SOK | 表記: | 3-(5-azanyl-2-chloranyl-phenyl)-1-methyl-4,7-dihydro-2~{H}-cyclohepta[c]pyrrol-8-one | 組成式: | C16 H15 Cl N2 O | SMILES: | Cc1[nH]c(c2CC=CCC(=O)c12)c3cc(N)ccc3Cl | InChi: | InChI=1S/C16H15ClN2O/c1-9-15-11(4-2-3-5-14(15)20)16(19-9)12-8-10(18)6-7-13(12)17/h2-3,6-8,19H,4-5,18H2,1H3 | 定義日: | 2020-11-25 | 最終更新日: | 2022-06-03 | 公開日: | 2022-06-08 | 識別子(ID): | 3-(5-azanyl-2-chloranyl-phenyl)-1-methyl-4,7-dihydro-2~{H}-cyclohepta[c]pyrrol-8-one |
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![TGI TGI](https://data.pdbj.org/pdbjplus/data/cc/svg/TGI.svg) | TGI | 表記: | Tiagabine | 組成式: | C20 H25 N O2 S2 | SMILES: | Cc1ccsc1C(=CCCN1CCCC(C1)C(=O)O)c1sccc1C | InChi: | InChI=1S/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/t16-/m1/s1 | 別名: | (3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-en-1-yl]piperidine-3-carboxylic acid | 定義日: | 2021-10-20 | 最終更新日: | 2022-06-03 | 公開日: | 2022-06-08 | 識別子(ID): | (3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-en-1-yl]piperidine-3-carboxylic acid |
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![KZD KZD](https://data.pdbj.org/pdbjplus/data/cc/svg/KZD.svg) | KZD | 表記: | (2S)-tert-butoxy[(4S)-7-(4,4-dimethylpiperidin-1-yl)-8-{4-[2-(4-fluorophenyl)ethoxy]phenyl}-2,5-dimethylimidazo[1,2-a]pyridin-6-yl]acetic acid | 組成式: | C36 H44 F N3 O4 | SMILES: | O=C(O)C(OC(C)(C)C)c1c(c(c2nc(C)cn2c1C)c1ccc(OCCc2ccc(F)cc2)cc1)N1CCC(C)(C)CC1 | InChi: | InChI=1S/C36H44FN3O4/c1-23-22-40-24(2)29(32(34(41)42)44-35(3,4)5)31(39-19-17-36(6,7)18-20-39)30(33(40)38-23)26-10-14-28(15-11-26)43-21-16-25-8-12-27(37)13-9-25/h8-15,22,32H,16-21H2,1-7H3,(H,41,42)/t32-/m0/s1 | 定義日: | 2022-02-25 | 最終更新日: | 2022-06-03 | 公開日: | 2022-06-08 | 識別子(ID): | (2S)-tert-butoxy[(4S)-7-(4,4-dimethylpiperidin-1-yl)-8-{4-[2-(4-fluorophenyl)ethoxy]phenyl}-2,5-dimethylimidazo[1,2-a]pyridin-6-yl]acetic acid |
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![0VL 0VL](https://data.pdbj.org/pdbjplus/data/cc/svg/0VL.svg) | 0VL | 表記: | benzyl {2-[(5S)-5-hydroxy-4-oxo-6-{[2-(pyridin-4-yl)ethyl]carbamoyl}-4,5-dihydropyrimidin-2-yl]propan-2-yl}carbamate | 組成式: | C23 H25 N5 O5 | SMILES: | OC1=C(N=C(NC1=O)C(C)(C)NC(=O)OCc1ccccc1)C(=O)NCCc1ccncc1 | InChi: | InChI=1S/C23H25N5O5/c1-23(2,28-22(32)33-14-16-6-4-3-5-7-16)21-26-17(18(29)20(31)27-21)19(30)25-13-10-15-8-11-24-12-9-15/h3-9,11-12,29H,10,13-14H2,1-2H3,(H,25,30)(H,28,32)(H,26,27,31) | 定義日: | 2021-06-17 | 最終更新日: | 2022-06-03 | 公開日: | 2022-06-08 | 識別子(ID): | benzyl [2-(5-hydroxy-6-oxo-4-{[2-(pyridin-4-yl)ethyl]carbamoyl}-1,6-dihydropyrimidin-2-yl)propan-2-yl]carbamate |
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![MJN MJN](https://data.pdbj.org/pdbjplus/data/cc/svg/MJN.svg) | MJN | 表記: | N-[(2R)-1-(methylamino)-3-{1-[(4-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetyl]piperidin-4-yl}-1-oxopropan-2-yl]-5-phenylpyridine-2-carboxamide | 組成式: | C33 H35 N5 O4 | SMILES: | O=C(Cc1ccc2NC(=O)C=C(C)c2c1)N1CCC(CC(NC(=O)c2ccc(cn2)c2ccccc2)C(=O)NC)CC1 | InChi: | InChI=1S/C33H35N5O4/c1-21-16-30(39)36-27-10-8-23(17-26(21)27)19-31(40)38-14-12-22(13-15-38)18-29(32(41)34-2)37-33(42)28-11-9-25(20-35-28)24-6-4-3-5-7-24/h3-11,16-17,20,22,29H,12-15,18-19H2,1-2H3,(H,34,41)(H,36,39)(H,37,42)/t29-/m1/s1 | 定義日: | 2022-03-16 | 最終更新日: | 2022-06-03 | 公開日: | 2022-06-08 | 識別子(ID): | N-[(2R)-1-(methylamino)-3-{1-[(4-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetyl]piperidin-4-yl}-1-oxopropan-2-yl]-5-phenylpyridine-2-carboxamide |
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![5YZ 5YZ](https://data.pdbj.org/pdbjplus/data/cc/svg/5YZ.svg) | 5YZ | 表記: | 6-[(5-cyclopropyl-1~{H}-pyrazol-3-yl)amino]-2-[4-[(3-methyl-4-oxidanyl-phenyl)methyl]piperazin-1-yl]-~{N}-prop-2-ynyl-pyrimidine-4-carboxamide | 組成式: | C26 H30 N8 O2 | SMILES: | Cc1cc(CN2CCN(CC2)c3nc(Nc4cc([nH]n4)C5CC5)cc(n3)C(=O)NCC#C)ccc1O | InChi: | InChI=1S/C26H30N8O2/c1-3-8-27-25(36)21-15-23(29-24-14-20(31-32-24)19-5-6-19)30-26(28-21)34-11-9-33(10-12-34)16-18-4-7-22(35)17(2)13-18/h1,4,7,13-15,19,35H,5-6,8-12,16H2,2H3,(H,27,36)(H2,28,29,30,31,32) | 定義日: | 2021-08-31 | 最終更新日: | 2022-06-03 | 公開日: | 2022-06-08 | 識別子(ID): | 6-[(5-cyclopropyl-1~{H}-pyrazol-3-yl)amino]-2-[4-[(3-methyl-4-oxidanyl-phenyl)methyl]piperazin-1-yl]-~{N}-prop-2-ynyl-pyrimidine-4-carboxamide |
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![N8R N8R](https://data.pdbj.org/pdbjplus/data/cc/svg/N8R.svg) | N8R | 表記: | Dyclonine | 組成式: | C18 H27 N O2 | SMILES: | CCCCOc1ccc(cc1)C(=O)CCN1CCCCC1 | InChi: | InChI=1S/C18H27NO2/c1-2-3-15-21-17-9-7-16(8-10-17)18(20)11-14-19-12-5-4-6-13-19/h7-10H,2-6,11-15H2,1H3 | 別名: | 1-(4-butoxyphenyl)-3-(piperidin-1-yl)propan-1-one | 定義日: | 2022-03-25 | 最終更新日: | 2022-06-03 | 公開日: | 2022-06-08 | 識別子(ID): | 1-(4-butoxyphenyl)-3-(piperidin-1-yl)propan-1-one |
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![4J1 4J1](https://data.pdbj.org/pdbjplus/data/cc/svg/4J1.svg) | 4J1 | 表記: | (2R,3R,4S,5S,6R)-2-[4-[1-[4-[6-[(Z)-hydroxyiminomethyl]-5-oxidanyl-pyridin-2-yl]butyl]-1,2,3-triazol-4-yl]butoxy]-6-(hydroxymethyl)oxane-3,4,5-triol | 組成式: | C22 H33 N5 O8 | SMILES: | OC[CH]1O[CH](OCCCCc2cn(CCCCc3ccc(O)c(C=NO)n3)nn2)[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C22H33N5O8/c28-13-18-19(30)20(31)21(32)22(35-18)34-10-4-2-6-15-12-27(26-25-15)9-3-1-5-14-7-8-17(29)16(24-14)11-23-33/h7-8,11-12,18-22,28-33H,1-6,9-10,13H2/b23-11-/t18-,19-,20+,21-,22-/m1/s1 | 定義日: | 2021-07-02 | 最終更新日: | 2022-06-03 | 公開日: | 2022-06-08 | 識別子(ID): | (2~{R},3~{R},4~{S},5~{S},6~{R})-2-[4-[1-[4-[6-[(~{Z})-hydroxyiminomethyl]-5-oxidanyl-pyridin-2-yl]butyl]-1,2,3-triazol-4-yl]butoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
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![EJ3 EJ3](https://data.pdbj.org/pdbjplus/data/cc/svg/EJ3.svg) | EJ3 | 表記: | 3-[(1-ethanoyl-5-methoxy-indol-3-yl)carbonylamino]-4-fluoranyl-5-(1-methylpyrazol-4-yl)benzoic acid | 組成式: | C23 H19 F N4 O5 | SMILES: | COc1ccc2n(cc(C(=O)Nc3cc(cc(c3F)c4cnn(C)c4)C(O)=O)c2c1)C(C)=O | InChi: | InChI=1S/C23H19FN4O5/c1-12(29)28-11-18(17-8-15(33-3)4-5-20(17)28)22(30)26-19-7-13(23(31)32)6-16(21(19)24)14-9-25-27(2)10-14/h4-11H,1-3H3,(H,26,30)(H,31,32) | 定義日: | 2022-04-20 | 最終更新日: | 2022-06-03 | 公開日: | 2022-06-08 | 識別子(ID): | 3-[(1-ethanoyl-5-methoxy-indol-3-yl)carbonylamino]-4-fluoranyl-5-(1-methylpyrazol-4-yl)benzoic acid |
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![65M 65M](https://data.pdbj.org/pdbjplus/data/cc/svg/65M.svg) | 65M | 表記: | 3-{[benzyl(methyl)carbamoyl]amino}benzene-1-sulfonamide | 組成式: | C15 H17 N3 O3 S | SMILES: | O=S(N)(=O)c1cc(NC(=O)N(C)Cc2ccccc2)ccc1 | InChi: | InChI=1S/C15H17N3O3S/c1-18(11-12-6-3-2-4-7-12)15(19)17-13-8-5-9-14(10-13)22(16,20)21/h2-10H,11H2,1H3,(H,17,19)(H2,16,20,21) | 定義日: | 2021-08-02 | 最終更新日: | 2022-06-03 | 公開日: | 2022-06-08 | 識別子(ID): | 3-{[benzyl(methyl)carbamoyl]amino}benzene-1-sulfonamide |
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![66I 66I](https://data.pdbj.org/pdbjplus/data/cc/svg/66I.svg) | 66I | 表記: | {(2R,3S,4R,5R)-5-[4-amino-3-(difluoromethoxy)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl}methyl [(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]sulfamate (non-preferred name) | 組成式: | C20 H23 F2 N7 O9 S | SMILES: | Oc1ccc(cc1)CC(N)C(=O)NS(=O)(=O)OCC1OC(n2nc(OC(F)F)c3c(N)ncnc32)C(O)C1O | InChi: | InChI=1S/C20H23F2N7O9S/c21-20(22)38-18-12-15(24)25-7-26-16(12)29(27-18)19-14(32)13(31)11(37-19)6-36-39(34,35)28-17(33)10(23)5-8-1-3-9(30)4-2-8/h1-4,7,10-11,13-14,19-20,30-32H,5-6,23H2,(H,28,33)(H2,24,25,26)/t10-,11+,13+,14+,19+/m0/s1 | 定義日: | 2021-08-02 | 最終更新日: | 2022-06-03 | 公開日: | 2022-06-08 | 識別子(ID): | {(2R,3S,4R,5R)-5-[4-amino-3-(difluoromethoxy)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl}methyl [(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]sulfamate (non-preferred name) |
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