![Z1E Z1E](https://data.pdbj.org/pdbjplus/data/cc/svg/Z1E.svg) | Z1E | 表記: | N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-N-[(1R,2R)-1-[(cyclopropylsulfonyl)carbamoyl]-2-(difluoromethyl)cyclopropyl]-L-prolinamide | 組成式: | C34 H44 Cl F2 N5 O9 S | SMILES: | C1(C(C1)C(F)F)(NC(C2N(C(C(NC(OC(C)(C)C)=O)C(C)(C)C)=O)CC(C2)Oc4c3cc(ccc3c(cn4)OC)Cl)=O)C(NS(C5CC5)(=O)=O)=O | InChi: | InChI=1S/C34H44ClF2N5O9S/c1-32(2,3)25(39-31(46)51-33(4,5)6)29(44)42-16-18(50-28-21-12-17(35)8-11-20(21)24(49-7)15-38-28)13-23(42)27(43)40-34(14-22(34)26(36)37)30(45)41-52(47,48)19-9-10-19/h8,11-12,15,18-19,22-23,25-26H,9-10,13-14,16H2,1-7H3,(H,39,46)(H,40,43)(H,41,45)/t18-,22+,23+,25-,34-/m1/s1 | 定義日: | 2017-11-29 | 最終更新日: | 2018-03-16 | 公開日: | 2018-03-21 | 識別子(ID): | N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-N-[(1R,2R)-1-[(cyclopropylsulfonyl)carbamoyl]-2-(difluoromethyl)cyclopropyl]-L-prolinamide |
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![YUI YUI](https://data.pdbj.org/pdbjplus/data/cc/svg/YUI.svg) | YUI | 表記: | 1-[1-[[4-(3-chloranylphenoxy)quinolin-2-yl]methyl]piperidin-4-yl]-5-methyl-pyrimidine-2,4-dione | 組成式: | C26 H25 Cl N4 O3 | SMILES: | CC1=CN(C2CCN(CC2)Cc3cc(Oc4cccc(Cl)c4)c5ccccc5n3)C(=O)NC1=O | InChi: | InChI=1S/C26H25ClN4O3/c1-17-15-31(26(33)29-25(17)32)20-9-11-30(12-10-20)16-19-14-24(22-7-2-3-8-23(22)28-19)34-21-6-4-5-18(27)13-21/h2-8,13-15,20H,9-12,16H2,1H3,(H,29,32,33) | 定義日: | 2017-04-24 | 最終更新日: | 2018-03-16 | 公開日: | 2018-03-21 | 識別子(ID): | 1-[1-[[4-(3-chloranylphenoxy)quinolin-2-yl]methyl]piperidin-4-yl]-5-methyl-pyrimidine-2,4-dione |
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![E3S E3S](https://data.pdbj.org/pdbjplus/data/cc/svg/E3S.svg) | E3S | 表記: | (1R)-N-(4-tert-butyl-3-fluorophenyl)-6-methoxy-2-[(3-oxo-2,3-dihydro-1,2-oxazol-5-yl)acetyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide | 組成式: | C26 H28 F N3 O5 | SMILES: | c3cc2C(C(=O)Nc1cc(c(cc1)C(C)(C)C)F)N(CCc2cc3OC)C(CC4=CC(=O)NO4)=O | InChi: | InChI=1S/C26H28FN3O5/c1-26(2,3)20-8-5-16(12-21(20)27)28-25(33)24-19-7-6-17(34-4)11-15(19)9-10-30(24)23(32)14-18-13-22(31)29-35-18/h5-8,11-13,24H,9-10,14H2,1-4H3,(H,28,33)(H,29,31)/t24-/m1/s1 | 定義日: | 2017-11-30 | 最終更新日: | 2018-03-16 | 公開日: | 2018-03-21 | 識別子(ID): | (1R)-N-(4-tert-butyl-3-fluorophenyl)-6-methoxy-2-[(3-oxo-2,3-dihydro-1,2-oxazol-5-yl)acetyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide |
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![E3V E3V](https://data.pdbj.org/pdbjplus/data/cc/svg/E3V.svg) | E3V | 表記: | {cis-3-[(5R)-5-[(7-fluoro-1,1-dimethyl-1H-inden-5-yl)carbamoyl]-2-methoxy-7,8-dihydro-1,6-naphthyridine-6(5H)-carbonyl]cyclobutyl}acetic acid | 組成式: | C28 H30 F N3 O5 | SMILES: | c5cc1c(CCN(C1C(=O)Nc2cc3c(c(c2)F)C(C=C3)(C)C)C(C4CC(CC(O)=O)C4)=O)nc5OC | InChi: | InChI=1S/C28H30FN3O5/c1-28(2)8-6-16-13-18(14-20(29)24(16)28)30-26(35)25-19-4-5-22(37-3)31-21(19)7-9-32(25)27(36)17-10-15(11-17)12-23(33)34/h4-6,8,13-15,17,25H,7,9-12H2,1-3H3,(H,30,35)(H,33,34)/t15-,17+,25-/m1/s1 | 定義日: | 2017-11-30 | 最終更新日: | 2018-03-16 | 公開日: | 2018-03-21 | 識別子(ID): | {cis-3-[(5R)-5-[(7-fluoro-1,1-dimethyl-1H-inden-5-yl)carbamoyl]-2-methoxy-7,8-dihydro-1,6-naphthyridine-6(5H)-carbonyl]cyclobutyl}acetic acid |
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![E9N E9N](https://data.pdbj.org/pdbjplus/data/cc/svg/E9N.svg) | E9N | 表記: | (2~{R})-2-(phenylmethylsulfanyl)butanedioic acid | 組成式: | C11 H12 O4 S | SMILES: | OC(=O)C[CH](SCc1ccccc1)C(O)=O | InChi: | InChI=1S/C11H12O4S/c12-10(13)6-9(11(14)15)16-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)/t9-/m1/s1 | 定義日: | 2018-03-07 | 最終更新日: | 2018-03-16 | 公開日: | 2018-03-21 | 識別子(ID): | (2~{R})-2-(phenylmethylsulfanyl)butanedioic acid |
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![CWV CWV](https://data.pdbj.org/pdbjplus/data/cc/svg/CWV.svg) | CWV | 表記: | [3-(1-aminoisoquinolin-6-yl)phenyl]boronic acid | 組成式: | C15 H13 B N2 O2 | SMILES: | B(O)(O)c3cccc(c2cc1ccnc(N)c1cc2)c3 | InChi: | InChI=1S/C15H13BN2O2/c17-15-14-5-4-11(8-12(14)6-7-18-15)10-2-1-3-13(9-10)16(19)20/h1-9,19-20H,(H2,17,18) | 定義日: | 2017-10-05 | 最終更新日: | 2018-03-16 | 公開日: | 2018-03-21 | 識別子(ID): | [3-(1-aminoisoquinolin-6-yl)phenyl]boronic acid |
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![EJP EJP](https://data.pdbj.org/pdbjplus/data/cc/svg/EJP.svg) | EJP | 表記: | (3S)-3-(2-benzyl-3-chloro-7-oxo-2,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridin-6-yl)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepine-8-carbonitrile | 組成式: | C24 H20 Cl N5 O3 | SMILES: | N#Cc2ccc1N(C(C(COc1c2)N3C(c5c(CC3)c(n(Cc4ccccc4)n5)Cl)=O)=O)C | InChi: | InChI=1S/C24H20ClN5O3/c1-28-18-8-7-16(12-26)11-20(18)33-14-19(23(28)31)29-10-9-17-21(24(29)32)27-30(22(17)25)13-15-5-3-2-4-6-15/h2-8,11,19H,9-10,13-14H2,1H3/t19-/m0/s1 | 定義日: | 2018-01-14 | 最終更新日: | 2018-03-16 | 公開日: | 2018-03-21 | 識別子(ID): | (3S)-3-(2-benzyl-3-chloro-7-oxo-2,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridin-6-yl)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepine-8-carbonitrile |
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![EJY EJY](https://data.pdbj.org/pdbjplus/data/cc/svg/EJY.svg) | EJY | 表記: | 2-benzyl-5-nitro-1H-benzimidazole | 組成式: | C14 H11 N3 O2 | SMILES: | c1(cc2c(cc1)nc(n2)Cc3ccccc3)[N+](=O)[O-] | InChi: | InChI=1S/C14H11N3O2/c18-17(19)11-6-7-12-13(9-11)16-14(15-12)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,15,16) | 定義日: | 2018-01-16 | 最終更新日: | 2018-03-16 | 公開日: | 2018-03-21 | 識別子(ID): | 2-benzyl-5-nitro-1H-benzimidazole |
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![EKG EKG](https://data.pdbj.org/pdbjplus/data/cc/svg/EKG.svg) | EKG | 表記: | (2R)-2,3-dihydroxypropyl hexadecanoate | 組成式: | C19 H38 O4 | SMILES: | CCCCCCCCCCCCCCCC(=O)OCC(CO)O | InChi: | InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3/t18-/m1/s1 | 定義日: | 2018-01-17 | 最終更新日: | 2018-03-16 | 公開日: | 2018-03-21 | 識別子(ID): | (2R)-2,3-dihydroxypropyl hexadecanoate |
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![KPM KPM](https://data.pdbj.org/pdbjplus/data/cc/svg/KPM.svg) | KPM | 表記: | 2-(acetylamino)-4-O-{2-(acetylamino)-4,6-O-[(1S)-1-carboxyethylidene]-2-deoxy-beta-D-mannopyranosyl}-2-deoxy-beta-D-glucopyranose | 組成式: | C19 H30 N2 O13 | SMILES: | CC(=O)NC1C(C(C(OC1O)CO)OC3OC2COC(C(O)=O)(C)OC2C(O)C3NC(C)=O)O | InChi: | InChI=1S/C19H30N2O13/c1-6(23)20-10-12(25)14(8(4-22)31-16(10)27)33-17-11(21-7(2)24)13(26)15-9(32-17)5-30-19(3,34-15)18(28)29/h8-17,22,25-27H,4-5H2,1-3H3,(H,20,23)(H,21,24)(H,28,29)/t8-,9-,10-,11+,12-,13-,14-,15-,16-,17+,19+/m1/s1 | 定義日: | 2017-12-06 | 最終更新日: | 2018-03-16 | 公開日: | 2018-03-21 | 識別子(ID): | 2-(acetylamino)-4-O-{2-(acetylamino)-4,6-O-[(1S)-1-carboxyethylidene]-2-deoxy-beta-D-mannopyranosyl}-2-deoxy-beta-D-glucopyranose |
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![DLK DLK](https://data.pdbj.org/pdbjplus/data/cc/svg/DLK.svg) | DLK | 表記: | 2-{1-[(2-Methoxyphenyl)amino]ethylidene}-5-phenyl-1,3-cyclohexanedione | 組成式: | C21 H21 N O3 | SMILES: | COc1ccccc1N[C](C)=[C]2C(=O)C[CH](CC2=O)c3ccccc3 | InChi: | InChI=1S/C21H21NO3/c1-14(22-17-10-6-7-11-20(17)25-2)21-18(23)12-16(13-19(21)24)15-8-4-3-5-9-15/h3-11,16,22H,12-13H2,1-2H3/b21-14-/t16-/m0/s1 | 定義日: | 2018-01-24 | 最終更新日: | 2018-03-16 | 公開日: | 2018-03-21 | 識別子(ID): | 2-[1-[(2-methoxyphenyl)amino]ethylidene]-5-phenyl-cyclohexane-1,3-dione |
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![DZK DZK](https://data.pdbj.org/pdbjplus/data/cc/svg/DZK.svg) | DZK | 表記: | (2~{S})-2-(phenylmethylsulfanyl)butanedioic acid | 組成式: | C11 H12 O4 S | SMILES: | OC(=O)C[CH](SCc1ccccc1)C(O)=O | InChi: | InChI=1S/C11H12O4S/c12-10(13)6-9(11(14)15)16-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)/t9-/m0/s1 | 定義日: | 2018-02-06 | 最終更新日: | 2018-03-16 | 公開日: | 2018-03-21 | 識別子(ID): | (2~{S})-2-(phenylmethylsulfanyl)butanedioic acid |
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![F3D F3D](https://data.pdbj.org/pdbjplus/data/cc/svg/F3D.svg) | F3D | 表記: | 4-[(2-{4-[(1E)-1-(1H-indazol-5-yl)-2-phenylbut-1-en-1-yl]phenoxy}ethyl)amino]-N,N-dimethylbutanamide | 組成式: | C31 H36 N4 O2 | SMILES: | C(/C(c1ccccc1)=C(/c2ccc(cc2)OCCNCCCC(N(C)C)=O)c3ccc4nncc4c3)C | InChi: | InChI=1S/C31H36N4O2/c1-4-28(23-9-6-5-7-10-23)31(25-14-17-29-26(21-25)22-33-34-29)24-12-15-27(16-13-24)37-20-19-32-18-8-11-30(36)35(2)3/h5-7,9-10,12-17,21-22,32H,4,8,11,18-20H2,1-3H3,(H,33,34)/b31-28+ | 定義日: | 2018-02-26 | 最終更新日: | 2018-03-16 | 公開日: | 2018-03-21 | 識別子(ID): | 4-[(2-{4-[(1E)-1-(1H-indazol-5-yl)-2-phenylbut-1-en-1-yl]phenoxy}ethyl)amino]-N,N-dimethylbutanamide |
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![F7D F7D](https://data.pdbj.org/pdbjplus/data/cc/svg/F7D.svg) | F7D | 表記: | (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5,8-di(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one | 組成式: | C19 H15 F2 N5 O2 | SMILES: | c12N(CC#C)C(=O)C(C)N(CC#C)c1nc(nc2)Nc3cc(F)c(O)c(c3)F | InChi: | InChI=1S/C19H15F2N5O2/c1-4-6-25-11(3)18(28)26(7-5-2)15-10-22-19(24-17(15)25)23-12-8-13(20)16(27)14(21)9-12/h1-2,8-11,27H,6-7H2,3H3,(H,22,23,24)/t11-/m1/s1 | 定義日: | 2018-03-08 | 最終更新日: | 2018-03-16 | 公開日: | 2018-03-21 | 識別子(ID): | (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5,8-di(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one |
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![81U 81U](https://data.pdbj.org/pdbjplus/data/cc/svg/81U.svg) | 81U | 表記: | 3-azanylphenazin-2-ol | 組成式: | C12 H9 N3 O | SMILES: | Nc1cc2nc3ccccc3nc2cc1O | InChi: | InChI=1S/C12H9N3O/c13-7-5-10-11(6-12(7)16)15-9-4-2-1-3-8(9)14-10/h1-6,16H,13H2 | 定義日: | 2017-03-21 | 最終更新日: | 2018-03-16 | 公開日: | 2018-03-21 | 識別子(ID): | 3-azanylphenazin-2-ol |
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![8TB 8TB](https://data.pdbj.org/pdbjplus/data/cc/svg/8TB.svg) | 8TB | 表記: | (3~{S},7~{R},10~{R},11~{R},13~{S})-4-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-11-methyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid | 組成式: | C36 H42 Cl N5 O7 | SMILES: | C[CH]1C[CH](N2[CH]1C=C[CH]3CCN([CH]3C2=O)C(=O)[CH]4CC[CH]5C=C[C]6(CCCN6C(=O)[CH](Cc7ccccc7Cl)NC(C)=O)C(=O)N45)C(O)=O | InChi: | InChI=1S/C36H42ClN5O7/c1-20-18-29(34(47)48)42-27(20)10-8-22-13-17-39(30(22)33(42)46)32(45)28-11-9-24-12-15-36(35(49)41(24)28)14-5-16-40(36)31(44)26(38-21(2)43)19-23-6-3-4-7-25(23)37/h3-4,6-8,10,12,15,20,22,24,26-30H,5,9,11,13-14,16-19H2,1-2H3,(H,38,43)(H,47,48)/t20-,22+,24+,26+,27+,28+,29+,30+,36-/m1/s1 | 定義日: | 2017-03-06 | 最終更新日: | 2018-03-16 | 公開日: | 2018-03-21 | 識別子(ID): | (3~{S},7~{R},10~{R},11~{R},13~{S})-4-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-11-methyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid |
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![8TQ 8TQ](https://data.pdbj.org/pdbjplus/data/cc/svg/8TQ.svg) | 8TQ | 表記: | (3~{S},7~{R},10~{R},13~{S})-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carbaldehyde | 組成式: | C12 H16 N2 O2 | SMILES: | O=C[CH]1CC[CH]2C=C[CH]3CCN[CH]3C(=O)N12 | InChi: | InChI=1S/C12H16N2O2/c15-7-10-4-3-9-2-1-8-5-6-13-11(8)12(16)14(9)10/h1-2,7-11,13H,3-6H2/t8-,9-,10-,11-/m0/s1 | 定義日: | 2017-03-07 | 最終更新日: | 2018-03-16 | 公開日: | 2018-03-21 | 識別子(ID): | (3~{S},7~{R},10~{R},13~{S})-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carbaldehyde |
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![8VK 8VK](https://data.pdbj.org/pdbjplus/data/cc/svg/8VK.svg) | 8VK | 表記: | ethyl (3~{S},7~{R},10~{R},11~{R},13~{S})-4-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-11-ethyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylate | 組成式: | C39 H48 Cl N5 O7 | SMILES: | CCOC(=O)[CH]1C[CH](CC)[CH]2C=C[CH]3CCN([CH]3C(=O)N12)C(=O)[CH]4CC[CH]5C=C[C]6(CCCN6C(=O)[CH](Cc7ccccc7Cl)NC(C)=O)C(=O)N45 | InChi: | InChI=1S/C39H48ClN5O7/c1-4-24-22-32(37(50)52-5-2)45-30(24)13-11-25-16-20-42(33(25)36(45)49)35(48)31-14-12-27-15-18-39(38(51)44(27)31)17-8-19-43(39)34(47)29(41-23(3)46)21-26-9-6-7-10-28(26)40/h6-7,9-11,13,15,18,24-25,27,29-33H,4-5,8,12,14,16-17,19-22H2,1-3H3,(H,41,46)/t24-,25+,27+,29+,30+,31+,32+,33+,39-/m1/s1 | 定義日: | 2017-03-13 | 最終更新日: | 2018-03-16 | 公開日: | 2018-03-21 | 識別子(ID): | ethyl (3~{S},7~{R},10~{R},11~{R},13~{S})-4-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-11-ethyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylate |
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![8YJ 8YJ](https://data.pdbj.org/pdbjplus/data/cc/svg/8YJ.svg) | 8YJ | 表記: | 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}benzoic acid | 組成式: | C15 H11 Cl O3 S | SMILES: | c1(ccccc1SCC(=O)c2ccc(cc2)Cl)C(O)=O | InChi: | InChI=1S/C15H11ClO3S/c16-11-7-5-10(6-8-11)13(17)9-20-14-4-2-1-3-12(14)15(18)19/h1-8H,9H2,(H,18,19) | 定義日: | 2017-03-20 | 最終更新日: | 2018-03-16 | 公開日: | 2018-03-21 | 識別子(ID): | 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}benzoic acid |
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![90P 90P](https://data.pdbj.org/pdbjplus/data/cc/svg/90P.svg) | 90P | 表記: | N~2~-cyclohexyl-N~4~-(1-ethylpiperidin-4-yl)-6,7-dimethoxy-N~2~-methylquinazoline-2,4-diamine | 組成式: | C24 H37 N5 O2 | SMILES: | c3(nc(NC1CCN(CC)CC1)c2cc(OC)c(cc2n3)OC)N(C)C4CCCCC4 | InChi: | InChI=1S/C24H37N5O2/c1-5-29-13-11-17(12-14-29)25-23-19-15-21(30-3)22(31-4)16-20(19)26-24(27-23)28(2)18-9-7-6-8-10-18/h15-18H,5-14H2,1-4H3,(H,25,26,27) | 定義日: | 2017-03-24 | 最終更新日: | 2018-03-16 | 公開日: | 2018-03-21 | 識別子(ID): | N~2~-cyclohexyl-N~4~-(1-ethylpiperidin-4-yl)-6,7-dimethoxy-N~2~-methylquinazoline-2,4-diamine |
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![952 952](https://data.pdbj.org/pdbjplus/data/cc/svg/952.svg) | 952 | 表記: | 5-methyl-1-[(3~{S})-1-[(3-phenoxyphenyl)methyl]piperidin-3-yl]pyrimidine-2,4-dione | 組成式: | C23 H25 N3 O3 | SMILES: | CC1=CN([CH]2CCCN(C2)Cc3cccc(Oc4ccccc4)c3)C(=O)NC1=O | InChi: | InChI=1S/C23H25N3O3/c1-17-14-26(23(28)24-22(17)27)19-8-6-12-25(16-19)15-18-7-5-11-21(13-18)29-20-9-3-2-4-10-20/h2-5,7,9-11,13-14,19H,6,8,12,15-16H2,1H3,(H,24,27,28)/t19-/m0/s1 | 定義日: | 2017-04-21 | 最終更新日: | 2018-03-16 | 公開日: | 2018-03-21 | 識別子(ID): | 5-methyl-1-[(3~{S})-1-[(3-phenoxyphenyl)methyl]piperidin-3-yl]pyrimidine-2,4-dione |
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![9D5 9D5](https://data.pdbj.org/pdbjplus/data/cc/svg/9D5.svg) | 9D5 | 表記: | 2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-2,3-dihydro-1~{H}-quinazolin-4-one | 組成式: | C17 H19 N3 O2 | SMILES: | CN(CCO)c1ccc(cc1)[CH]2NC(=O)c3ccccc3N2 | InChi: | InChI=1S/C17H19N3O2/c1-20(10-11-21)13-8-6-12(7-9-13)16-18-15-5-3-2-4-14(15)17(22)19-16/h2-9,16,18,21H,10-11H2,1H3,(H,19,22)/t16-/m0/s1 | 定義日: | 2017-05-10 | 最終更新日: | 2018-03-16 | 公開日: | 2018-03-21 | 識別子(ID): | 2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-2,3-dihydro-1~{H}-quinazolin-4-one |
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![MVG MVG](https://data.pdbj.org/pdbjplus/data/cc/svg/MVG.svg) | MVG | 表記: | 4-{6-[6-(propan-2-ylamino)-1H-indazol-1-yl]pyrazin-2-yl}benzoic acid | 組成式: | C21 H19 N5 O2 | SMILES: | O=C(O)c1ccc(cc1)c2nc(cnc2)n4ncc3ccc(cc34)NC(C)C | InChi: | InChI=1S/C21H19N5O2/c1-13(2)24-17-8-7-16-10-23-26(19(16)9-17)20-12-22-11-18(25-20)14-3-5-15(6-4-14)21(27)28/h3-13,24H,1-2H3,(H,27,28) | 定義日: | 2013-09-26 | 最終更新日: | 2018-03-16 | 公開日: | 2018-03-21 | 識別子(ID): | 4-{6-[6-(propan-2-ylamino)-1H-indazol-1-yl]pyrazin-2-yl}benzoic acid |
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![8RT 8RT](https://data.pdbj.org/pdbjplus/data/cc/svg/8RT.svg) | 8RT | 表記: | (2~{S})-~{N}1-(1-methylindol-3-yl)-~{N}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide | 組成式: | C22 H21 F3 N4 O3 | SMILES: | Cn1cc(NC(=O)N2CCC[CH]2C(=O)Nc3cccc(OC(F)(F)F)c3)c4ccccc14 | InChi: | InChI=1S/C22H21F3N4O3/c1-28-13-17(16-8-2-3-9-18(16)28)27-21(31)29-11-5-10-19(29)20(30)26-14-6-4-7-15(12-14)32-22(23,24)25/h2-4,6-9,12-13,19H,5,10-11H2,1H3,(H,26,30)(H,27,31)/t19-/m0/s1 | 定義日: | 2017-02-28 | 最終更新日: | 2018-03-16 | 公開日: | 2018-03-21 | 識別子(ID): | (2~{S})-~{N}1-(1-methylindol-3-yl)-~{N}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide |
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![8SW 8SW](https://data.pdbj.org/pdbjplus/data/cc/svg/8SW.svg) | 8SW | 表記: | ~{N}-[2-[[(2~{S})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-[[(2~{S})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-oxidanylidene-3-(prop-2-ynylamino)propyl]amino]-3-oxidanylidene-propyl]amino]-2-oxidanylidene-ethyl]-2,3-bis(oxidanyl)benzamide | 組成式: | C32 H32 N6 O12 | SMILES: | Oc1cccc(C(=O)NCC(=O)NC[CH](NC(=O)c2cccc(O)c2O)C(=O)NC[CH](NC(=O)c3cccc(O)c3O)C(=O)NCC#C)c1O | InChi: | InChI=1S/C32H32N6O12/c1-2-12-33-31(49)20(38-30(48)18-8-5-11-23(41)27(18)45)14-35-32(50)19(37-29(47)17-7-4-10-22(40)26(17)44)13-34-24(42)15-36-28(46)16-6-3-9-21(39)25(16)43/h1,3-11,19-20,39-41,43-45H,12-15H2,(H,33,49)(H,34,42)(H,35,50)(H,36,46)(H,37,47)(H,38,48)/t19-,20-/m0/s1 | 定義日: | 2017-03-03 | 最終更新日: | 2018-03-16 | 公開日: | 2018-03-21 | 識別子(ID): | ~{N}-[2-[[(2~{S})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-[[(2~{S})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-oxidanylidene-3-(prop-2-ynylamino)propyl]amino]-3-oxidanylidene-propyl]amino]-2-oxidanylidene-ethyl]-2,3-bis(oxidanyl)benzamide |
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