![IHX IHX](https://data.pdbj.org/pdbjplus/data/cc/svg/IHX.svg) | IHX | 表記: | 3-[3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-5-yl]phenol | 組成式: | C20 H19 F3 N4 O | SMILES: | FC(F)(F)c3cc1ncc(nc1c(c2cccc(O)c2)c3)N4CCN(C)CC4 | InChi: | InChI=1S/C20H19F3N4O/c1-26-5-7-27(8-6-26)18-12-24-17-11-14(20(21,22)23)10-16(19(17)25-18)13-3-2-4-15(28)9-13/h2-4,9-12,28H,5-8H2,1H3 | 定義日: | 2008-11-14 | 最終更新日: | 2011-06-04 | 識別子(ID): | 3-[3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-5-yl]phenol |
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![L11 L11](https://data.pdbj.org/pdbjplus/data/cc/svg/L11.svg) | L11 | 表記: | N-[4-CHLORO-3-(PYRIDIN-3-YLOXYMETHYL)-PHENYL]-3-FLUORO- | 組成式: | C23 H25 Cl F N3 O3 | SMILES: | Clc1ccc(cc1COc2cccnc2)NC(=O)C4=CC(F)CC(N3CCOCC3)C4 | InChi: | InChI=1S/C23H25ClFN3O3/c24-22-4-3-19(11-17(22)15-31-21-2-1-5-26-14-21)27-23(29)16-10-18(25)13-20(12-16)28-6-8-30-9-7-28/h1-5,10-11,14,18,20H,6-9,12-13,15H2,(H,27,29)/t18-,20-/m0/s1 | 定義日: | 2004-09-16 | 最終更新日: | 2011-06-04 | 識別子(ID): | (3R,5S)-N-{4-chloro-3-[(pyridin-3-yloxy)methyl]phenyl}-3-fluoro-5-morpholin-4-ylcyclohex-1-ene-1-carboxamide |
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![L1A L1A](https://data.pdbj.org/pdbjplus/data/cc/svg/L1A.svg) | L1A | 表記: | N-(MORPHOLIN-4-YLSULFONYL)-L-PHENYLALANYL-3-(2-AMINO-1,3-THIAZOL-4-YL)-N-{(1R,2R,3S)-1-[(1R)-CYCLOHEX-3-EN-1-YLMETHYL]-2,3-DIHYDROXY-5-METHYLHEXYL}-L-ALANINAMIDE | 組成式: | C33 H50 N6 O7 S2 | SMILES: | O=S(=O)(N1CCOCC1)NC(C(=O)NC(C(=O)NC(CC2CC=CCC2)C(O)C(O)CC(C)C)Cc3nc(sc3)N)Cc4ccccc4 | InChi: | InChI=1S/C33H50N6O7S2/c1-22(2)17-29(40)30(41)26(18-23-9-5-3-6-10-23)36-31(42)27(20-25-21-47-33(34)35-25)37-32(43)28(19-24-11-7-4-8-12-24)38-48(44,45)39-13-15-46-16-14-39/h3-5,7-8,11-12,21-23,26-30,38,40-41H,6,9-10,13-20H2,1-2H3,(H2,34,35)(H,36,42)(H,37,43)/t23-,26+,27-,28-,29-,30+/m0/s1 | 定義日: | 2006-02-27 | 最終更新日: | 2011-06-04 | 識別子(ID): | N-(morpholin-4-ylsulfonyl)-L-phenylalanyl-3-(2-amino-1,3-thiazol-4-yl)-N-{(1R,2R,3S)-1-[(1R)-cyclohex-3-en-1-ylmethyl]-2,3-dihydroxy-5-methylhexyl}-L-alaninamide |
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![L1B L1B](https://data.pdbj.org/pdbjplus/data/cc/svg/L1B.svg) | L1B | 表記: | 7-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-1-(3-METHOXYPROPYL)QUINOLINIUM | 組成式: | C19 H24 N5 O | SMILES: | n1c(c(c(nc1N)N)c3cc2[n+](cccc2cc3)CCCOC)CC | InChi: | InChI=1S/C19H23N5O/c1-3-15-17(18(20)23-19(21)22-15)14-8-7-13-6-4-9-24(16(13)12-14)10-5-11-25-2/h4,6-9,12H,3,5,10-11H2,1-2H3,(H3,20,21,23)/p+1 | 定義日: | 2006-02-27 | 最終更新日: | 2011-06-04 | 識別子(ID): | 7-(2,4-diamino-6-ethylpyrimidin-5-yl)-1-(3-methoxypropyl)quinolinium |
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![L31 L31](https://data.pdbj.org/pdbjplus/data/cc/svg/L31.svg) | L31 | 表記: | 3-[(1R)-2-acetyl-6-methyl-2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl]phenol | 組成式: | C20 H20 N2 O2 | SMILES: | O=C(N4CCc2c1cc(ccc1nc2C4c3cccc(O)c3)C)C | InChi: | InChI=1S/C20H20N2O2/c1-12-6-7-18-17(10-12)16-8-9-22(13(2)23)20(19(16)21-18)14-4-3-5-15(24)11-14/h3-7,10-11,20-21,24H,8-9H2,1-2H3/t20-/m1/s1 | 定義日: | 2009-10-05 | 最終更新日: | 2011-06-04 | 識別子(ID): | 1-[(1R)-1-(3-hydroxyphenyl)-6-methyl-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl]ethanone |
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![L51 L51](https://data.pdbj.org/pdbjplus/data/cc/svg/L51.svg) | L51 | 表記: | 1-{3-[(6-aminoquinolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea | 組成式: | C30 H31 N7 O | SMILES: | O=C(Nc3cccc(Nc1c2cc(N)ccc2ncc1)c3)Nc5cc(nn5c4ccc(cc4)C)C(C)(C)C | InChi: | InChI=1S/C30H31N7O/c1-19-8-11-23(12-9-19)37-28(18-27(36-37)30(2,3)4)35-29(38)34-22-7-5-6-21(17-22)33-26-14-15-32-25-13-10-20(31)16-24(25)26/h5-18H,31H2,1-4H3,(H,32,33)(H2,34,35,38) | 定義日: | 2009-06-16 | 最終更新日: | 2011-06-04 | 識別子(ID): | 1-{3-[(6-aminoquinolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea |
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![L5G L5G](https://data.pdbj.org/pdbjplus/data/cc/svg/L5G.svg) | L5G | 表記: | 7-methoxy-4-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline | 組成式: | C22 H17 N5 O2 | SMILES: | n1c(ccc2nnc(n12)COc3c4ccc(OC)cc4ncc3)c5ccccc5 | InChi: | InChI=1S/C22H17N5O2/c1-28-16-7-8-17-19(13-16)23-12-11-20(17)29-14-22-25-24-21-10-9-18(26-27(21)22)15-5-3-2-4-6-15/h2-13H,14H2,1H3 | 定義日: | 2008-03-02 | 最終更新日: | 2011-06-04 | 識別子(ID): | 7-methoxy-4-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline |
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![L64 L64](https://data.pdbj.org/pdbjplus/data/cc/svg/L64.svg) | L64 | 表記: | 1-(4-{4-morpholin-4-yl-1-[1-(pyridin-3-ylcarbonyl)piperidin-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}phenyl)-3-pyridin-4-ylurea | 組成式: | C32 H32 N10 O3 | SMILES: | O=C(c1cccnc1)N7CCC(n3ncc2c(nc(nc23)c5ccc(NC(=O)Nc4ccncc4)cc5)N6CCOCC6)CC7 | InChi: | InChI=1S/C32H32N10O3/c43-31(23-2-1-11-34-20-23)41-14-9-26(10-15-41)42-30-27(21-35-42)29(40-16-18-45-19-17-40)38-28(39-30)22-3-5-24(6-4-22)36-32(44)37-25-7-12-33-13-8-25/h1-8,11-13,20-21,26H,9-10,14-19H2,(H2,33,36,37,44) | 定義日: | 2009-07-17 | 最終更新日: | 2011-06-04 | 識別子(ID): | 1-(4-{4-(morpholin-4-yl)-1-[1-(pyridin-3-ylcarbonyl)piperidin-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}phenyl)-3-pyridin-4-ylurea |
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![L8I L8I](https://data.pdbj.org/pdbjplus/data/cc/svg/L8I.svg) | L8I | 表記: | 2'-(2-fluorophenyl)-1-methyl-6',8',9',11'-tetrahydrospiro[azetidine-3,10'-pyrido[3',4':4,5]pyrrolo[2,3-f]isoquinolin]-7'(5'H)-one | 組成式: | C23 H21 F N4 O | SMILES: | Fc1ccccc1c2ncc6c(c2)c5nc3c(C(=O)NCC34CN(C)C4)c5CC6 | InChi: | InChI=1S/C23H21FN4O/c1-28-11-23(12-28)10-26-22(29)19-15-7-6-13-9-25-18(14-4-2-3-5-17(14)24)8-16(13)20(15)27-21(19)23/h2-5,8-9,27H,6-7,10-12H2,1H3,(H,26,29) | 定義日: | 2010-03-10 | 最終更新日: | 2011-06-04 | 識別子(ID): | 2'-(2-fluorophenyl)-1-methyl-6',8',9',11'-tetrahydrospiro[azetidine-3,10'-pyrido[3',4':4,5]pyrrolo[2,3-f]isoquinolin]-7'(5'H)-one |
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![LAB LAB](https://data.pdbj.org/pdbjplus/data/cc/svg/LAB.svg) | LAB | 表記: | LATRUNCULIN B | 組成式: | C20 H29 N O5 S | SMILES: | O=C3OC2CC(OC(O)(C1NC(=O)SC1)C2)CCC(C=CCCC(=C3)C)C | InChi: | InChI=1S/C20H29NO5S/c1-13-5-3-4-6-14(2)9-18(22)25-16-10-15(8-7-13)26-20(24,11-16)17-12-27-19(23)21-17/h3,5,9,13,15-17,24H,4,6-8,10-12H2,1-2H3,(H,21,23)/b5-3-,14-9-/t13-,15-,16-,17+,20-/m1/s1 | 定義日: | 2007-06-20 | 最終更新日: | 2011-06-04 | 識別子(ID): | (4R)-4-[(1R,4Z,8Z,10S,13R,15R)-15-hydroxy-5,10-dimethyl-3-oxo-2,14-dioxabicyclo[11.3.1]heptadeca-4,8-dien-15-yl]-1,3-thiazolidin-2-one |
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![LDN LDN](https://data.pdbj.org/pdbjplus/data/cc/svg/LDN.svg) | LDN | 表記: | 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline | 組成式: | C25 H22 N6 | SMILES: | n1cc(cn2ncc(c12)c3c4ccccc4ncc3)c6ccc(N5CCNCC5)cc6 | InChi: | InChI=1S/C25H22N6/c1-2-4-24-22(3-1)21(9-10-27-24)23-16-29-31-17-19(15-28-25(23)31)18-5-7-20(8-6-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2 | 定義日: | 2010-04-02 | 最終更新日: | 2011-06-04 | 識別子(ID): | 4-{6-[4-(piperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl}quinoline |
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![111 111](https://data.pdbj.org/pdbjplus/data/cc/svg/111.svg) | 111 | 表記: | (1N)-4-N-BUTOXYPHENYLSULFONYL-(2R)-N-HYDROXYCARBOXAMIDO-(4S)-METHANESULFONYLAMINO-PYRROLIDINE | 組成式: | C16 H25 N3 O7 S2 | SMILES: | O=S(=O)(c1ccc(OCCCC)cc1)N2C(C(=O)NO)CC(NS(=O)(=O)C)C2 | InChi: | InChI=1S/C16H25N3O7S2/c1-3-4-9-26-13-5-7-14(8-6-13)28(24,25)19-11-12(18-27(2,22)23)10-15(19)16(20)17-21/h5-8,12,15,18,21H,3-4,9-11H2,1-2H3,(H,17,20)/t12-,15+/m0/s1 | 定義日: | 2000-11-07 | 最終更新日: | 2011-06-04 | 識別子(ID): | (4S)-1-[(4-butoxyphenyl)sulfonyl]-N-hydroxy-4-[(methylsulfonyl)amino]-D-prolinamide |
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![12C 12C](https://data.pdbj.org/pdbjplus/data/cc/svg/12C.svg) | 12C | 表記: | 4-[(3S)-1-AZABICYCLO[2.2.2]OCT-3-YLAMINO]-3-(1H-BENZIMIDAZOL-2-YL)-6-CHLOROQUINOLIN-2(1H)-ONE | 組成式: | C23 H22 Cl N5 O | SMILES: | Clc1ccc6c(c1)C(NC3C2CCN(CC2)C3)=C(c4nc5ccccc5n4)C(=O)N6 | InChi: | InChI=1S/C23H22ClN5O/c24-14-5-6-16-15(11-14)21(25-19-12-29-9-7-13(19)8-10-29)20(23(30)28-16)22-26-17-3-1-2-4-18(17)27-22/h1-6,11,13,19H,7-10,12H2,(H,26,27)(H2,25,28,30)/t19-/m1/s1 | 定義日: | 2006-03-27 | 最終更新日: | 2011-06-04 | 識別子(ID): | 4-[(3S)-1-azabicyclo[2.2.2]oct-3-ylamino]-3-(1H-benzimidazol-2-yl)-6-chloroquinolin-2(1H)-one |
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![136 136](https://data.pdbj.org/pdbjplus/data/cc/svg/136.svg) | 136 | 表記: | N-(4-CARBAMIMIDOYL-3-CHORO-PHENYL)-2-HYDROXY-3-IODO-5-METHYL-BENZAMIDE | 組成式: | C15 H13 Cl I N3 O2 | SMILES: | Clc1cc(ccc1C(=[N@H])N)NC(=O)c2cc(cc(I)c2O)C | InChi: | InChI=1S/C15H13ClIN3O2/c1-7-4-10(13(21)12(17)5-7)15(22)20-8-2-3-9(14(18)19)11(16)6-8/h2-6,21H,1H3,(H3,18,19)(H,20,22) | 定義日: | 2001-05-10 | 最終更新日: | 2011-06-04 | 識別子(ID): | N-(4-carbamimidoyl-3-chlorophenyl)-2-hydroxy-3-iodo-5-methylbenzamide |
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![138 138](https://data.pdbj.org/pdbjplus/data/cc/svg/138.svg) | 138 | 表記: | N-[5'-O-PHOSPHONO-RIBOFURANOSYL]-2-[2-HYDROXY-2-[4-[GLUTAMIC ACID]-N-CARBONYLPHENYL]-3-[2-AMINO-4-HYDROXY-QUINAZOLIN-6-YL]-PROPANYLAMINO]-ACETAMIDE | 組成式: | C30 H37 N6 O15 P | SMILES: | O=C(NC1OC(C(O)C1O)COP(=O)(O)O)CNCC(O)(c2ccc(C(=O)NC(C(=O)O)CCC(=O)O)cc2)Cc4cc3c(O)nc(nc3cc4)N | InChi: | InChI=1S/C30H37N6O15P/c31-29-34-18-6-1-14(9-17(18)26(43)36-29)10-30(46,16-4-2-15(3-5-16)25(42)33-19(28(44)45)7-8-22(38)39)13-32-11-21(37)35-27-24(41)23(40)20(51-27)12-50-52(47,48)49/h1-6,9,19-20,23-24,27,32,40-41,46H,7-8,10-13H2,(H,33,42)(H,35,37)(H,38,39)(H,44,45)(H2,47,48,49)(H3,31,34,36,43)/t19-,20+,23+,24+,27+,30+/m0/s1 | 定義日: | 2001-07-23 | 最終更新日: | 2011-06-04 | 識別子(ID): | (2S)-2-[({4-[(1S)-2-(2-amino-4-hydroxyquinazolin-6-yl)-1-({[2-({(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}amino)-2-oxoethyl]amino}methyl)-1-hydroxyethyl]phenyl}carbonyl)amino]pentanedioic acid (non-preferred name) |
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![KA5 KA5](https://data.pdbj.org/pdbjplus/data/cc/svg/KA5.svg) | KA5 | 表記: | 5-chloro-N~6~-(2,5-dimethoxybenzyl)quinazoline-2,4,6-triamine | 組成式: | C17 H18 Cl N5 O2 | SMILES: | Clc2c1c(nc(nc1N)N)ccc2NCc3cc(OC)ccc3OC | InChi: | InChI=1S/C17H18ClN5O2/c1-24-10-3-6-13(25-2)9(7-10)8-21-12-5-4-11-14(15(12)18)16(19)23-17(20)22-11/h3-7,21H,8H2,1-2H3,(H4,19,20,22,23) | 定義日: | 2009-09-14 | 最終更新日: | 2011-06-04 | 識別子(ID): | 5-chloro-N~6~-(2,5-dimethoxybenzyl)quinazoline-2,4,6-triamine |
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![165 165](https://data.pdbj.org/pdbjplus/data/cc/svg/165.svg) | 165 | 表記: | N-(BENZYLSULFONYL)-3-CYCLOHEXYLALANYL-N-(2-AMINO-1,3-BENZOTHIAZOL-6-YL)PROLINAMIDE | 組成式: | C28 H35 N5 O4 S2 | SMILES: | O=S(=O)(NC(C(=O)N1CCCC1C(=O)Nc2ccc3nc(sc3c2)N)CC4CCCCC4)Cc5ccccc5 | InChi: | InChI=1S/C28H35N5O4S2/c29-28-31-22-14-13-21(17-25(22)38-28)30-26(34)24-12-7-15-33(24)27(35)23(16-19-8-3-1-4-9-19)32-39(36,37)18-20-10-5-2-6-11-20/h2,5-6,10-11,13-14,17,19,23-24,32H,1,3-4,7-9,12,15-16,18H2,(H2,29,31)(H,30,34)/t23-,24+/m1/s1 | 定義日: | 2004-02-17 | 最終更新日: | 2011-06-04 | 識別子(ID): | N-(benzylsulfonyl)-3-cyclohexyl-D-alanyl-N-(2-amino-1,3-benzothiazol-6-yl)-L-prolinamide |
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![KB2 KB2](https://data.pdbj.org/pdbjplus/data/cc/svg/KB2.svg) | KB2 | 表記: | (3S)-3-(4-{(1S)-1,2-dimethyl-1-[(quinolin-6-ylmethyl)amino]propyl}-1H-1,2,3-triazol-1-yl)heptan-2-one | 組成式: | C24 H33 N5 O | SMILES: | O=C(C(n1nnc(c1)C(NCc3cc2cccnc2cc3)(C)C(C)C)CCCC)C | InChi: | InChI=1S/C24H33N5O/c1-6-7-10-22(18(4)30)29-16-23(27-28-29)24(5,17(2)3)26-15-19-11-12-21-20(14-19)9-8-13-25-21/h8-9,11-14,16-17,22,26H,6-7,10,15H2,1-5H3/t22-,24-/m0/s1 | 定義日: | 2009-09-09 | 最終更新日: | 2011-06-04 | 識別子(ID): | (3S)-3-(4-{(2S)-3-methyl-2-[(quinolin-6-ylmethyl)amino]butan-2-yl}-1H-1,2,3-triazol-1-yl)heptan-2-one |
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![16U 16U](https://data.pdbj.org/pdbjplus/data/cc/svg/16U.svg) | 16U | 表記: | N-(3-chlorobenzyl)-1-(4-methylpentanoyl)-L-prolinamide | 組成式: | C18 H25 Cl N2 O2 | SMILES: | O=C(NCc1cccc(Cl)c1)C2N(C(=O)CCC(C)C)CCC2 | InChi: | InChI=1S/C18H25ClN2O2/c1-13(2)8-9-17(22)21-10-4-7-16(21)18(23)20-12-14-5-3-6-15(19)11-14/h3,5-6,11,13,16H,4,7-10,12H2,1-2H3,(H,20,23)/t16-/m0/s1 | 定義日: | 2008-07-16 | 最終更新日: | 2011-06-04 | 識別子(ID): | N-(3-chlorobenzyl)-1-(4-methylpentanoyl)-L-prolinamide |
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![176 176](https://data.pdbj.org/pdbjplus/data/cc/svg/176.svg) | 176 | 表記: | 1-(2-AMINO-3,3-DIPHENYL-PROPIONYL)-PYRROLIDINE-3-CARBOXYLIC ACID 2,5-DICHLORO-BENZYLAMIDE | 組成式: | C27 H27 Cl2 N3 O2 | SMILES: | O=C(NCc1cc(Cl)ccc1Cl)C4N(C(=O)C(N)C(c2ccccc2)c3ccccc3)CCC4 | InChi: | InChI=1S/C27H27Cl2N3O2/c28-21-13-14-22(29)20(16-21)17-31-26(33)23-12-7-15-32(23)27(34)25(30)24(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,13-14,16,23-25H,7,12,15,17,30H2,(H,31,33)/t23-,25+/m0/s1 | 定義日: | 2004-05-25 | 最終更新日: | 2011-06-04 | 識別子(ID): | beta-phenyl-D-phenylalanyl-N-(2,5-dichlorobenzyl)-L-prolinamide |
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![177 177](https://data.pdbj.org/pdbjplus/data/cc/svg/177.svg) | 177 | 表記: | 1-[2-AMINO-2-CYCLOHEXYL-ACETYL]-PYRROLIDINE-3-CARBOXYLIC ACID 5-CHLORO-2-(2-ETHYLCARBAMOYL-ETHOXY)-BENZYLAMIDE | 組成式: | C24 H35 Cl N4 O4 | SMILES: | O=C(NCc1cc(Cl)ccc1OCC(=O)NCC)C3N(C(=O)C(N)C2CCCCC2)CCC3 | InChi: | InChI=1S/C24H35ClN4O4/c1-2-27-21(30)15-33-20-11-10-18(25)13-17(20)14-28-23(31)19-9-6-12-29(19)24(32)22(26)16-7-4-3-5-8-16/h10-11,13,16,19,22H,2-9,12,14-15,26H2,1H3,(H,27,30)(H,28,31)/t19-,22+/m0/s1 | 定義日: | 2004-05-25 | 最終更新日: | 2011-06-04 | 識別子(ID): | 1-[(2R)-2-amino-2-cyclohexylacetyl]-N-{5-chloro-2-[2-(ethylamino)-2-oxoethoxy]benzyl}-L-prolinamide |
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![M97 M97](https://data.pdbj.org/pdbjplus/data/cc/svg/M97.svg) | M97 | 表記: | 1-[(3R,4R)-4-(1H-indol-3-yl)-2,5-dioxopyrrolidin-3-yl]pyrrolo[3,2,1-ij]quinolinium | 組成式: | C23 H16 N3 O2 | SMILES: | O=C6NC(=O)C(C=3c1c2c(ccc1)ccc[n+]2C=3)C6c4cnc5ccccc45 | InChi: | InChI=1S/C23H15N3O2/c27-22-19(16-11-24-18-9-2-1-7-14(16)18)20(23(28)25-22)17-12-26-10-4-6-13-5-3-8-15(17)21(13)26/h1-12,19-20,24H/p+1/t19-,20-/m0/s1 | 定義日: | 2011-04-12 | 最終更新日: | 2011-06-04 | 識別子(ID): | 1-[(3R,4R)-4-(1H-indol-3-yl)-2,5-dioxopyrrolidin-3-yl]pyrrolo[3,2,1-ij]quinolinium |
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![MAQ MAQ](https://data.pdbj.org/pdbjplus/data/cc/svg/MAQ.svg) | MAQ | 表記: | 2-AMINO-8-METHYLQUINAZOLIN-4(3H)-ONE | 組成式: | C9 H9 N3 O | SMILES: | O=C2N=C(Nc1c2cccc1C)N | InChi: | InChI=1S/C9H9N3O/c1-5-3-2-4-6-7(5)11-9(10)12-8(6)13/h2-4H,1H3,(H3,10,11,12,13) | 定義日: | 2004-01-15 | 最終更新日: | 2011-06-04 | 識別子(ID): | 2-amino-8-methylquinazolin-4(1H)-one |
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![MB9 MB9](https://data.pdbj.org/pdbjplus/data/cc/svg/MB9.svg) | MB9 | 表記: | (4R)-7-chloro-9-methyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile | 組成式: | C17 H17 Cl N4 O | SMILES: | Clc4ccc3c(n(c2C(=O)NC1(CCNCC1)C(C#N)c23)C)c4 | InChi: | InChI=1S/C17H17ClN4O/c1-22-13-8-10(18)2-3-11(13)14-12(9-19)17(4-6-20-7-5-17)21-16(23)15(14)22/h2-3,8,12,20H,4-7H2,1H3,(H,21,23)/t12-/m1/s1 | 定義日: | 2008-05-01 | 最終更新日: | 2011-06-04 | 識別子(ID): | (4R)-7-chloro-9-methyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile |
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![MBB MBB](https://data.pdbj.org/pdbjplus/data/cc/svg/MBB.svg) | MBB | 表記: | 2'-(3-METHYL-4-DIMETHYLAMINOPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE | 組成式: | C28 H31 N7 | SMILES: | n2c(c1ccc(N(C)C)cc1C)nc3ccc(cc23)c5nc4cc(ccc4n5)N6CCN(C)CC6 | InChi: | InChI=1S/C28H31N7/c1-18-15-20(33(2)3)6-8-22(18)28-30-23-9-5-19(16-25(23)32-28)27-29-24-10-7-21(17-26(24)31-27)35-13-11-34(4)12-14-35/h5-10,15-17H,11-14H2,1-4H3,(H,29,31)(H,30,32) | 定義日: | 1999-07-08 | 最終更新日: | 2011-06-04 | 識別子(ID): | N,N,3-trimethyl-4-[5-(4-methylpiperazin-1-yl)-1H,1'H-2,5'-bibenzimidazol-2'-yl]aniline |
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