![OOJ OOJ](https://data.pdbj.org/pdbjplus/data/cc/svg/OOJ.svg) | OOJ | 表記: | N-(5-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-N'-[3-(trifluoromethyl)phenyl]urea | 組成式: | C20 H15 F3 N6 O2 S2 | SMILES: | C(F)(F)(c4cc(NC(Nc3nnc(SCC=2N=C1C=CC(C)=CN1C(=O)C=2)s3)=O)ccc4)F | InChi: | InChI=1S/C20H15F3N6O2S2/c1-11-5-6-15-24-14(8-16(30)29(15)9-11)10-32-19-28-27-18(33-19)26-17(31)25-13-4-2-3-12(7-13)20(21,22)23/h2-9H,10H2,1H3,(H2,25,26,27,31) | 定義日: | 2019-07-02 | 最終更新日: | 2019-10-04 | 公開日: | 2019-10-09 | 識別子(ID): | N-(5-{[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-N'-[3-(trifluoromethyl)phenyl]urea |
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![M0B M0B](https://data.pdbj.org/pdbjplus/data/cc/svg/M0B.svg) | M0B | 表記: | 2-[4-[2,6-bis(fluoranyl)phenoxy]-5-methyl-3-propan-2-yloxy-pyrazol-1-yl]-5-cyclopropyl-3-fluoranyl-pyridine | 組成式: | C21 H20 F3 N3 O2 | SMILES: | CC(C)Oc1nn(c(C)c1Oc2c(F)cccc2F)c3ncc(cc3F)C4CC4 | InChi: | InChI=1S/C21H20F3N3O2/c1-11(2)28-21-18(29-19-15(22)5-4-6-16(19)23)12(3)27(26-21)20-17(24)9-14(10-25-20)13-7-8-13/h4-6,9-11,13H,7-8H2,1-3H3 | 定義日: | 2019-10-01 | 最終更新日: | 2019-10-04 | 公開日: | 2019-10-09 | 識別子(ID): | 2-[4-[2,6-bis(fluoranyl)phenoxy]-5-methyl-3-propan-2-yloxy-pyrazol-1-yl]-5-cyclopropyl-3-fluoranyl-pyridine |
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![M64 M64](https://data.pdbj.org/pdbjplus/data/cc/svg/M64.svg) | M64 | 表記: | (2S)-2-amino-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanoic acid | 組成式: | C10 H18 N2 O3 | SMILES: | C1CCN(C(C)C1)C(CC(C(=O)O)N)=O | InChi: | InChI=1S/C10H18N2O3/c1-7-4-2-3-5-12(7)9(13)6-8(11)10(14)15/h7-8H,2-6,11H2,1H3,(H,14,15)/t7-,8-/m0/s1 | 定義日: | 2019-03-26 | 最終更新日: | 2019-10-04 | 公開日: | 2019-10-09 | 識別子(ID): | (2S)-2-amino-4-[(2S)-2-methylpiperidin-1-yl]-4-oxobutanoic acid |
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![M6J M6J](https://data.pdbj.org/pdbjplus/data/cc/svg/M6J.svg) | M6J | 表記: | (2S)-2-amino-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanoic acid | 組成式: | C14 H18 N2 O3 | SMILES: | C2C(c1ccccc1)N(C(CC(C(=O)O)N)=O)CC2 | InChi: | InChI=1S/C14H18N2O3/c15-11(14(18)19)9-13(17)16-8-4-7-12(16)10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9,15H2,(H,18,19)/t11-,12+/m0/s1 | 定義日: | 2019-03-26 | 最終更新日: | 2019-10-04 | 公開日: | 2019-10-09 | 識別子(ID): | (2S)-2-amino-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanoic acid |
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![DZ6 DZ6](https://data.pdbj.org/pdbjplus/data/cc/svg/DZ6.svg) | DZ6 | 表記: | 3-[2-[6-(4-aminophenyl)imidazo[1,2-a]pyrazin-3-yl]ethynyl]-2-methyl-~{N}-[3-(4-methylpiperazin-1-yl)-5-propan-2-yl-phenyl]benzamide | 組成式: | C36 H37 N7 O | SMILES: | CC(C)c1cc(NC(=O)c2cccc(C#Cc3cnc4cnc(cn34)c5ccc(N)cc5)c2C)cc(c1)N6CCN(C)CC6 | InChi: | InChI=1S/C36H37N7O/c1-24(2)28-18-30(20-32(19-28)42-16-14-41(4)15-17-42)40-36(44)33-7-5-6-26(25(33)3)10-13-31-21-39-35-22-38-34(23-43(31)35)27-8-11-29(37)12-9-27/h5-9,11-12,18-24H,14-17,37H2,1-4H3,(H,40,44) | 定義日: | 2019-09-26 | 最終更新日: | 2019-10-04 | 公開日: | 2019-10-09 | 識別子(ID): | 3-[2-[6-(4-aminophenyl)imidazo[1,2-a]pyrazin-3-yl]ethynyl]-2-methyl-~{N}-[3-(4-methylpiperazin-1-yl)-5-propan-2-yl-phenyl]benzamide |
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![DZC DZC](https://data.pdbj.org/pdbjplus/data/cc/svg/DZC.svg) | DZC | 表記: | 3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-2-methyl-~{N}-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide | 組成式: | C28 H25 F3 N6 O | SMILES: | CN1CCN(CC1)c2cc(NC(=O)c3cccc(C#Cc4cnc5cnccn45)c3C)cc(c2)C(F)(F)F | InChi: | InChI=1S/C28H25F3N6O/c1-19-20(6-7-23-17-33-26-18-32-8-9-37(23)26)4-3-5-25(19)27(38)34-22-14-21(28(29,30)31)15-24(16-22)36-12-10-35(2)11-13-36/h3-5,8-9,14-18H,10-13H2,1-2H3,(H,34,38) | 定義日: | 2019-09-26 | 最終更新日: | 2019-10-04 | 公開日: | 2019-10-09 | 識別子(ID): | 3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-2-methyl-~{N}-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide |
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![ODJ ODJ](https://data.pdbj.org/pdbjplus/data/cc/svg/ODJ.svg) | ODJ | 表記: | N-{4-[(6-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)amino]-3-methylphenyl}-1-methyl-1H-indazole-3-carboxamide | 組成式: | C25 H22 N6 O3 | SMILES: | c4cc5c(C(Nc3ccc(NC(c2c1ccc(cn1nc2)OC)=O)c(C)c3)=O)nn(C)c5cc4 | InChi: | InChI=1S/C25H22N6O3/c1-15-12-16(27-25(33)23-18-6-4-5-7-21(18)30(2)29-23)8-10-20(15)28-24(32)19-13-26-31-14-17(34-3)9-11-22(19)31/h4-14H,1-3H3,(H,27,33)(H,28,32) | 定義日: | 2019-06-21 | 最終更新日: | 2019-10-04 | 公開日: | 2019-10-09 | 識別子(ID): | N-{4-[(6-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)amino]-3-methylphenyl}-1-methyl-1H-indazole-3-carboxamide |
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![Q1D Q1D](https://data.pdbj.org/pdbjplus/data/cc/svg/Q1D.svg) | Q1D | 表記: | {4-[{(2R,3S)-3-[({[(3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl]oxy}carbonyl)amino]-2-hydroxy-4-phenylbutyl}(2-methylpropyl)sulfamoyl]phenyl}boronic acid | 組成式: | C29 H39 B N2 O9 S | SMILES: | c1c(ccc(c1)B(O)O)S(N(CC(O)C(Cc2ccccc2)NC(OC5C3COC4C(C3)C5CO4)=O)CC(C)C)(=O)=O | InChi: | InChI=1S/C29H39BN2O9S/c1-18(2)14-32(42(37,38)22-10-8-21(9-11-22)30(35)36)15-26(33)25(12-19-6-4-3-5-7-19)31-29(34)41-27-20-13-23-24(27)17-40-28(23)39-16-20/h3-11,18,20,23-28,33,35-36H,12-17H2,1-2H3,(H,31,34)/t20-,23-,24-,25+,26-,27+,28+/m1/s1 | 定義日: | 2019-09-04 | 最終更新日: | 2019-10-04 | 公開日: | 2019-10-09 | 識別子(ID): | {4-[{(2R,3S)-3-[({[(3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl]oxy}carbonyl)amino]-2-hydroxy-4-phenylbutyl}(2-methylpropyl)sulfamoyl]phenyl}boronic acid |
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![B4R B4R](https://data.pdbj.org/pdbjplus/data/cc/svg/B4R.svg) | B4R | 表記: | {4-[{(2R,3S)-3-[({[(3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl]oxy}carbonyl)amino]-2-hydroxy-4-phenylbutyl}(2-methylpropyl)sulfamoyl]phenyl}boronic acid | 組成式: | C28 H39 B N2 O9 S | SMILES: | O=S(=O)(N(CC(O)C(NC(OC1CCOC2C1CCO2)=O)Cc3ccccc3)CC(C)C)c4ccc(cc4)B(O)O | InChi: | InChI=1S/C28H39BN2O9S/c1-19(2)17-31(41(36,37)22-10-8-21(9-11-22)29(34)35)18-25(32)24(16-20-6-4-3-5-7-20)30-28(33)40-26-13-15-39-27-23(26)12-14-38-27/h3-11,19,23-27,32,34-35H,12-18H2,1-2H3,(H,30,33)/t23-,24-,25+,26-,27+/m0/s1 | 定義日: | 2019-09-04 | 最終更新日: | 2019-10-04 | 公開日: | 2019-10-09 | 識別子(ID): | {4-[{(2R,3S)-3-[({[(3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl]oxy}carbonyl)amino]-2-hydroxy-4-phenylbutyl}(2-methylpropyl)sulfamoyl]phenyl}boronic acid |
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![HF8 HF8](https://data.pdbj.org/pdbjplus/data/cc/svg/HF8.svg) | HF8 | 表記: | [(1~{S},2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)cyclohexyl] hydrogen sulfate | 組成式: | C7 H14 O9 S | SMILES: | OC[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O[S](O)(=O)=O | InChi: | InChI=1S/C7H14O9S/c8-1-2-3(9)4(10)5(11)6(12)7(2)16-17(13,14)15/h2-12H,1H2,(H,13,14,15)/t2-,3+,4+,5-,6+,7+/m1/s1 | 定義日: | 2018-12-04 | 最終更新日: | 2019-10-04 | 公開日: | 2019-10-09 | 識別子(ID): | [(1~{S},2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)cyclohexyl] hydrogen sulfate |
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![GJK GJK](https://data.pdbj.org/pdbjplus/data/cc/svg/GJK.svg) | GJK | 表記: | (~{E})-4-(3-methoxy-4-oxidanyl-phenyl)but-3-en-2-one | 組成式: | C11 H12 O3 | SMILES: | COc1cc(C=CC(C)=O)ccc1O | InChi: | InChI=1S/C11H12O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h3-7,13H,1-2H3/b4-3+ | 定義日: | 2018-09-18 | 最終更新日: | 2019-09-27 | 公開日: | 2019-10-02 | 識別子(ID): | (~{E})-4-(3-methoxy-4-oxidanyl-phenyl)but-3-en-2-one |
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![FCZ FCZ](https://data.pdbj.org/pdbjplus/data/cc/svg/FCZ.svg) | FCZ | 表記: | 5-(6-azanyl-4-methyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine | 組成式: | C16 H17 N7 O | SMILES: | CC(C)n1nc(c2ccc3oc(N)nc3c2)c4c(C)nc(N)nc14 | InChi: | InChI=1S/C16H17N7O/c1-7(2)23-14-12(8(3)19-15(17)21-14)13(22-23)9-4-5-11-10(6-9)20-16(18)24-11/h4-7H,1-3H3,(H2,18,20)(H2,17,19,21) | 定義日: | 2018-06-21 | 最終更新日: | 2019-09-27 | 公開日: | 2019-10-02 | 識別子(ID): | 5-(6-azanyl-4-methyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine |
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![FDH FDH](https://data.pdbj.org/pdbjplus/data/cc/svg/FDH.svg) | FDH | 表記: | 5-(6-azanyl-4-chloranyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine | 組成式: | C15 H14 Cl N7 O | SMILES: | CC(C)n1nc(c2ccc3oc(N)nc3c2)c4c(Cl)nc(N)nc14 | InChi: | InChI=1S/C15H14ClN7O/c1-6(2)23-13-10(12(16)20-14(17)21-13)11(22-23)7-3-4-9-8(5-7)19-15(18)24-9/h3-6H,1-2H3,(H2,18,19)(H2,17,20,21) | 定義日: | 2018-06-21 | 最終更新日: | 2019-09-27 | 公開日: | 2019-10-02 | 識別子(ID): | 5-(6-azanyl-4-chloranyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine |
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![FDW FDW](https://data.pdbj.org/pdbjplus/data/cc/svg/FDW.svg) | FDW | 表記: | 3-(2-azanyl-1,3-benzoxazol-5-yl)-1-propan-2-yl-pyrazolo[3,4-d]pyrimidine-4,6-diamine | 組成式: | C15 H16 N8 O | SMILES: | CC(C)n1nc(c2ccc3oc(N)nc3c2)c4c(N)nc(N)nc14 | InChi: | InChI=1S/C15H16N8O/c1-6(2)23-13-10(12(16)20-14(17)21-13)11(22-23)7-3-4-9-8(5-7)19-15(18)24-9/h3-6H,1-2H3,(H2,18,19)(H4,16,17,20,21) | 定義日: | 2018-06-21 | 最終更新日: | 2019-09-27 | 公開日: | 2019-10-02 | 識別子(ID): | 3-(2-azanyl-1,3-benzoxazol-5-yl)-1-propan-2-yl-pyrazolo[3,4-d]pyrimidine-4,6-diamine |
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![FE5 FE5](https://data.pdbj.org/pdbjplus/data/cc/svg/FE5.svg) | FE5 | 表記: | 5-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine | 組成式: | C15 H15 N7 O | SMILES: | CC(C)n1nc(c2ccc3oc(N)nc3c2)c4c(N)ncnc14 | InChi: | InChI=1S/C15H15N7O/c1-7(2)22-14-11(13(16)18-6-19-14)12(21-22)8-3-4-10-9(5-8)20-15(17)23-10/h3-7H,1-2H3,(H2,17,20)(H2,16,18,19) | 定義日: | 2018-06-21 | 最終更新日: | 2019-09-27 | 公開日: | 2019-10-02 | 識別子(ID): | 5-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine |
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![KD7 KD7](https://data.pdbj.org/pdbjplus/data/cc/svg/KD7.svg) | KD7 | 表記: | N-(3-phenylpropanoyl)-3-(1,3-thiazol-4-yl)-L-alanyl-N-[(1S,2S)-1-(1,3-benzothiazol-2-yl)-5-carbamimidamido-1-hydroxypentan-2-yl]-L-valinamide | 組成式: | C33 H42 N8 O4 S2 | SMILES: | C(=O)(CCc1ccccc1)NC(C(=O)NC(C(=O)NC(CCCNC(N)=N)C(c2sc3c(n2)cccc3)O)C(C)C)Cc4cscn4 | InChi: | InChI=1S/C33H42N8O4S2/c1-20(2)28(41-30(44)25(17-22-18-46-19-37-22)38-27(42)15-14-21-9-4-3-5-10-21)31(45)39-24(12-8-16-36-33(34)35)29(43)32-40-23-11-6-7-13-26(23)47-32/h3-7,9-11,13,18-20,24-25,28-29,43H,8,12,14-17H2,1-2H3,(H,38,42)(H,39,45)(H,41,44)(H4,34,35,36)/t24-,25-,28-,29-/m0/s1 | 定義日: | 2018-11-20 | 最終更新日: | 2019-09-27 | 公開日: | 2019-10-02 | 識別子(ID): | N-(3-phenylpropanoyl)-3-(1,3-thiazol-4-yl)-L-alanyl-N-[(1S,2S)-1-(1,3-benzothiazol-2-yl)-5-carbamimidamido-1-hydroxypentan-2-yl]-L-valinamide |
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![KUB KUB](https://data.pdbj.org/pdbjplus/data/cc/svg/KUB.svg) | KUB | 表記: | 4-[[(1~{S})-1-[2,5-bis(fluoranyl)phenyl]ethyl]amino]-5-chloranyl-2-fluoranyl-~{N}-(1,3-thiazol-4-yl)benzenesulfonamide | 組成式: | C17 H13 Cl F3 N3 O2 S2 | SMILES: | C[CH](Nc1cc(F)c(cc1Cl)[S](=O)(=O)Nc2cscn2)c3cc(F)ccc3F | InChi: | InChI=1S/C17H13ClF3N3O2S2/c1-9(11-4-10(19)2-3-13(11)20)23-15-6-14(21)16(5-12(15)18)28(25,26)24-17-7-27-8-22-17/h2-9,23-24H,1H3/t9-/m0/s1 | 定義日: | 2019-06-26 | 最終更新日: | 2019-09-27 | 公開日: | 2019-10-02 | 識別子(ID): | 4-[[(1~{S})-1-[2,5-bis(fluoranyl)phenyl]ethyl]amino]-5-chloranyl-2-fluoranyl-~{N}-(1,3-thiazol-4-yl)benzenesulfonamide |
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![OVY OVY](https://data.pdbj.org/pdbjplus/data/cc/svg/OVY.svg) | OVY | 表記: | (2E,4S,5R,6R,7S,8R)-5-(acetylamino)-4,6,7,8,9-pentahydroxy-2-(hydroxyimino)nonanoic acid (non-preferred name) | 組成式: | C11 H20 N2 O9 | SMILES: | C(NC(C(C(C(CO)O)O)O)C(C/C(C(O)=O)=NO)O)(C)=O | InChi: | InChI=1S/C11H20N2O9/c1-4(15)12-8(10(19)9(18)7(17)3-14)6(16)2-5(13-22)11(20)21/h6-10,14,16-19,22H,2-3H2,1H3,(H,12,15)(H,20,21)/b13-5+/t6-,7+,8+,9+,10+/m0/s1 | 定義日: | 2019-07-10 | 最終更新日: | 2019-09-27 | 公開日: | 2019-10-02 | 識別子(ID): | (2E,4S,5R,6R,7S,8R)-5-(acetylamino)-4,6,7,8,9-pentahydroxy-2-(hydroxyimino)nonanoic acid (non-preferred name) |
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![LO5 LO5](https://data.pdbj.org/pdbjplus/data/cc/svg/LO5.svg) | LO5 | 表記: | 1-(1,3-benzodioxol-5-yl)-~{N}-[[(2~{R})-oxolan-2-yl]methyl]methanamine | 組成式: | C13 H17 N O3 | SMILES: | C1CO[CH](C1)CNCc2ccc3OCOc3c2 | InChi: | InChI=1S/C13H17NO3/c1-2-11(15-5-1)8-14-7-10-3-4-12-13(6-10)17-9-16-12/h3-4,6,11,14H,1-2,5,7-9H2/t11-/m1/s1 | 定義日: | 2019-08-28 | 最終更新日: | 2019-09-27 | 公開日: | 2019-10-02 | 識別子(ID): | 1-(1,3-benzodioxol-5-yl)-~{N}-[[(2~{R})-oxolan-2-yl]methyl]methanamine |
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![LOE LOE](https://data.pdbj.org/pdbjplus/data/cc/svg/LOE.svg) | LOE | 表記: | 1-[[(3~{S})-1,4-dioxaspiro[4.5]decan-3-yl]methyl]piperidine | 組成式: | C14 H25 N O2 | SMILES: | C1CCN(CC1)C[CH]2COC3(CCCCC3)O2 | InChi: | InChI=1S/C14H25NO2/c1-3-7-14(8-4-1)16-12-13(17-14)11-15-9-5-2-6-10-15/h13H,1-12H2/t13-/m0/s1 | 定義日: | 2019-08-29 | 最終更新日: | 2019-09-27 | 公開日: | 2019-10-02 | 識別子(ID): | 1-[[(3~{S})-1,4-dioxaspiro[4.5]decan-3-yl]methyl]piperidine |
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![LOK LOK](https://data.pdbj.org/pdbjplus/data/cc/svg/LOK.svg) | LOK | 表記: | methyl ~{N}-[3-(methoxycarbonylamino)phenyl]carbamate | 組成式: | C10 H12 N2 O4 | SMILES: | COC(=O)Nc1cccc(NC(=O)OC)c1 | InChi: | InChI=1S/C10H12N2O4/c1-15-9(13)11-7-4-3-5-8(6-7)12-10(14)16-2/h3-6H,1-2H3,(H,11,13)(H,12,14) | 定義日: | 2019-08-29 | 最終更新日: | 2019-09-27 | 公開日: | 2019-10-02 | 識別子(ID): | methyl ~{N}-[3-(methoxycarbonylamino)phenyl]carbamate |
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![LOQ LOQ](https://data.pdbj.org/pdbjplus/data/cc/svg/LOQ.svg) | LOQ | 表記: | 1-(4-methylphenyl)pyrrolidine-2,5-dione | 組成式: | C11 H11 N O2 | SMILES: | Cc1ccc(cc1)N2C(=O)CCC2=O | InChi: | InChI=1S/C11H11NO2/c1-8-2-4-9(5-3-8)12-10(13)6-7-11(12)14/h2-5H,6-7H2,1H3 | 定義日: | 2019-08-30 | 最終更新日: | 2019-09-27 | 公開日: | 2019-10-02 | 識別子(ID): | 1-(4-methylphenyl)pyrrolidine-2,5-dione |
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![LOT LOT](https://data.pdbj.org/pdbjplus/data/cc/svg/LOT.svg) | LOT | 表記: | 6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridine-3-sulfonamide | 組成式: | C9 H9 N3 O4 S | SMILES: | N[S](=O)(=O)c1ccc(nc1)N2C(=O)CCC2=O | InChi: | InChI=1S/C9H9N3O4S/c10-17(15,16)6-1-2-7(11-5-6)12-8(13)3-4-9(12)14/h1-2,5H,3-4H2,(H2,10,15,16) | 定義日: | 2019-08-30 | 最終更新日: | 2019-09-27 | 公開日: | 2019-10-02 | 識別子(ID): | 6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridine-3-sulfonamide |
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![LPZ LPZ](https://data.pdbj.org/pdbjplus/data/cc/svg/LPZ.svg) | LPZ | 表記: | 2-(4-methylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone | 組成式: | C14 H21 N2 O2 | SMILES: | C[NH+]1CCN(CC1)C(=O)COc2ccc(C)cc2 | InChi: | InChI=1S/C14H20N2O2/c1-12-3-5-13(6-4-12)18-11-14(17)16-9-7-15(2)8-10-16/h3-6H,7-11H2,1-2H3/p+1 | 定義日: | 2019-08-30 | 最終更新日: | 2019-09-27 | 公開日: | 2019-10-02 | 識別子(ID): | 2-(4-methylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone |
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![OE7 OE7](https://data.pdbj.org/pdbjplus/data/cc/svg/OE7.svg) | OE7 | 表記: | 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-chlorobenzoic acid | 組成式: | C21 H16 Cl N5 O4 | SMILES: | N=2c1ncc(c1C(=O)NC=2N)Cc3ccc(cc3)C(=O)Nc4cc(Cl)ccc4C(O)=O | InChi: | InChI=1S/C21H16ClN5O4/c22-13-5-6-14(20(30)31)15(8-13)25-18(28)11-3-1-10(2-4-11)7-12-9-24-17-16(12)19(29)27-21(23)26-17/h1-6,8-9H,7H2,(H,25,28)(H,30,31)(H4,23,24,26,27,29) | 定義日: | 2019-06-24 | 最終更新日: | 2019-09-27 | 公開日: | 2019-10-02 | 識別子(ID): | 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-chlorobenzoic acid |
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