![8MB 8MB](https://data.pdbj.org/pdbjplus/data/cc/svg/8MB.svg) | 8MB | Name: | (~{E})-3-(4-methylphenyl)prop-2-enoic acid | Formula: | C10 H10 O2 | SMILES: | Cc1ccc(cc1)C=CC(O)=O | InChi: | InChI=1S/C10H10O2/c1-8-2-4-9(5-3-8)6-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-6+ | Definition date: | 2017-02-11 | Last modified: | 2018-02-23 | Release date: | 2018-02-28 | Identifier: | (~{E})-3-(4-methylphenyl)prop-2-enoic acid |
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![8MK 8MK](https://data.pdbj.org/pdbjplus/data/cc/svg/8MK.svg) | 8MK | Name: | (~{E})-4-(4-hydroxyphenyl)but-3-en-2-one | Formula: | C10 H10 O2 | SMILES: | CC(=O)C=Cc1ccc(O)cc1 | InChi: | InChI=1S/C10H10O2/c1-8(11)2-3-9-4-6-10(12)7-5-9/h2-7,12H,1H3/b3-2+ | Definition date: | 2017-02-11 | Last modified: | 2018-02-23 | Release date: | 2018-02-28 | Identifier: | (~{E})-4-(4-hydroxyphenyl)but-3-en-2-one |
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![8MN 8MN](https://data.pdbj.org/pdbjplus/data/cc/svg/8MN.svg) | 8MN | Name: | 2-(4-chlorophenyl)sulfanylethanehydrazide | Formula: | C8 H9 Cl N2 O S | SMILES: | NNC(=O)CSc1ccc(Cl)cc1 | InChi: | InChI=1S/C8H9ClN2OS/c9-6-1-3-7(4-2-6)13-5-8(12)11-10/h1-4H,5,10H2,(H,11,12) | Definition date: | 2017-02-11 | Last modified: | 2018-02-23 | Release date: | 2018-02-28 | Identifier: | 2-(4-chlorophenyl)sulfanylethanehydrazide |
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![8MQ 8MQ](https://data.pdbj.org/pdbjplus/data/cc/svg/8MQ.svg) | 8MQ | Name: | 2-(azepan-1-yl)-1-(1~{H}-indol-3-yl)propan-1-one | Formula: | C17 H22 N2 O | SMILES: | CC(N1CCCCCC1)C(=O)c2c[nH]c3ccccc23 | InChi: | InChI=1S/C17H22N2O/c1-13(19-10-6-2-3-7-11-19)17(20)15-12-18-16-9-5-4-8-14(15)16/h4-5,8-9,12-13,18H,2-3,6-7,10-11H2,1H3 | Definition date: | 2017-02-12 | Last modified: | 2018-02-23 | Release date: | 2018-02-28 | Identifier: | 2-(azepan-1-yl)-1-(1~{H}-indol-3-yl)propan-1-one |
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![8MT 8MT](https://data.pdbj.org/pdbjplus/data/cc/svg/8MT.svg) | 8MT | Name: | 4,5-bis(bromanyl)thiophene-2-carbohydrazide | Formula: | C5 H4 Br2 N2 O S | SMILES: | NNC(=O)c1sc(Br)c(Br)c1 | InChi: | InChI=1S/C5H4Br2N2OS/c6-2-1-3(5(10)9-8)11-4(2)7/h1H,8H2,(H,9,10) | Definition date: | 2017-02-13 | Last modified: | 2018-02-23 | Release date: | 2018-02-28 | Identifier: | 4,5-bis(bromanyl)thiophene-2-carbohydrazide |
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![8MW 8MW](https://data.pdbj.org/pdbjplus/data/cc/svg/8MW.svg) | 8MW | Name: | 2-cyclopropyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid | Formula: | C12 H12 N2 O2 S | SMILES: | Cc1nc(nc2sc(C(O)=O)c(C)c12)C3CC3 | InChi: | InChI=1S/C12H12N2O2S/c1-5-8-6(2)13-10(7-3-4-7)14-11(8)17-9(5)12(15)16/h7H,3-4H2,1-2H3,(H,15,16) | Definition date: | 2017-02-13 | Last modified: | 2018-02-23 | Release date: | 2018-02-28 | Identifier: | 2-cyclopropyl-4,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid |
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![8MZ 8MZ](https://data.pdbj.org/pdbjplus/data/cc/svg/8MZ.svg) | 8MZ | Name: | 5-(2-azanyl-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one | Formula: | C10 H8 N4 O S | SMILES: | Nc1scc(n1)c2ccc3NC(=O)Nc3c2 | InChi: | InChI=1S/C10H8N4OS/c11-9-12-8(4-16-9)5-1-2-6-7(3-5)14-10(15)13-6/h1-4H,(H2,11,12)(H2,13,14,15) | Definition date: | 2017-02-13 | Last modified: | 2018-02-23 | Release date: | 2018-02-28 | Identifier: | 5-(2-azanyl-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one |
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![8N2 8N2](https://data.pdbj.org/pdbjplus/data/cc/svg/8N2.svg) | 8N2 | Name: | (~{E})-3-(2,3-dimethoxyphenyl)prop-2-enoic acid | Formula: | C11 H12 O4 | SMILES: | COc1cccc(C=CC(O)=O)c1OC | InChi: | InChI=1S/C11H12O4/c1-14-9-5-3-4-8(11(9)15-2)6-7-10(12)13/h3-7H,1-2H3,(H,12,13)/b7-6+ | Definition date: | 2017-02-13 | Last modified: | 2018-02-23 | Release date: | 2018-02-28 | Identifier: | (~{E})-3-(2,3-dimethoxyphenyl)prop-2-enoic acid |
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![8N5 8N5](https://data.pdbj.org/pdbjplus/data/cc/svg/8N5.svg) | 8N5 | Name: | 2,5-dihydro-1~{H}-isothiochromeno[4,3-c]pyrazol-3-one | Formula: | C10 H8 N2 O S | SMILES: | O=C1NNC2=C1SCc3ccccc23 | InChi: | InChI=1S/C10H8N2OS/c13-10-9-8(11-12-10)7-4-2-1-3-6(7)5-14-9/h1-4H,5H2,(H2,11,12,13) | Definition date: | 2017-02-13 | Last modified: | 2018-02-23 | Release date: | 2018-02-28 | Identifier: | 2,5-dihydro-1~{H}-isothiochromeno[4,3-c]pyrazol-3-one |
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![8N8 8N8](https://data.pdbj.org/pdbjplus/data/cc/svg/8N8.svg) | 8N8 | Name: | 3,4-bis(bromanyl)thiophene-2-carboxylic acid | Formula: | C5 H2 Br2 O2 S | SMILES: | OC(=O)c1scc(Br)c1Br | InChi: | InChI=1S/C5H2Br2O2S/c6-2-1-10-4(3(2)7)5(8)9/h1H,(H,8,9) | Definition date: | 2017-02-13 | Last modified: | 2018-02-23 | Release date: | 2018-02-28 | Identifier: | 3,4-bis(bromanyl)thiophene-2-carboxylic acid |
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![8NE 8NE](https://data.pdbj.org/pdbjplus/data/cc/svg/8NE.svg) | 8NE | Name: | [azanyl-[4-(trifluoromethyl)phenyl]methylidene]azanium | Formula: | C8 H8 F3 N2 | SMILES: | NC(=[NH2+])c1ccc(cc1)C(F)(F)F | InChi: | InChI=1S/C8H7F3N2/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h1-4H,(H3,12,13)/p+1 | Definition date: | 2017-02-13 | Last modified: | 2018-02-23 | Release date: | 2018-02-28 | Identifier: | [azanyl-[4-(trifluoromethyl)phenyl]methylidene]azanium |
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![9AJ 9AJ](https://data.pdbj.org/pdbjplus/data/cc/svg/9AJ.svg) | 9AJ | Name: | 2-[3'-(hydroxymethyl)-1-methyl-5-({5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-yl}amino)-6-oxo[1,6-dihydro[3,4'-bipyridine]]-2'-yl]-7,7-dimethyl-3,4,7,8-tetrahydro-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6H)-one | Formula: | C37 H44 N8 O4 | SMILES: | c7c1CC(C)(C)Cc1n8CCN(c6nccc(C=2C=C(C(=O)N(C=2)C)Nc5ncc(N3CCN(CC3C)C4COC4)cc5)c6CO)C(c78)=O | InChi: | InChI=1S/C37H44N8O4/c1-23-18-42(27-21-49-22-27)9-10-43(23)26-5-6-33(39-17-26)40-30-13-25(19-41(4)35(30)47)28-7-8-38-34(29(28)20-46)45-12-11-44-31(36(45)48)14-24-15-37(2,3)16-32(24)44/h5-8,13-14,17,19,23,27,46H,9-12,15-16,18,20-22H2,1-4H3,(H,39,40)/t23-/m0/s1 | Definition date: | 2017-04-14 | Last modified: | 2018-02-23 | Release date: | 2018-02-28 | Identifier: | 2-[3'-(hydroxymethyl)-1-methyl-5-({5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-yl}amino)-6-oxo[1,6-dihydro[3,4'-bipyridine]]-2'-yl]-7,7-dimethyl-3,4,7,8-tetrahydro-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6H)-one |
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![DV4 DV4](https://data.pdbj.org/pdbjplus/data/cc/svg/DV4.svg) | DV4 | Name: | 4-{[4-(acetylamino)-1-methyl-1H-pyrrole-2-carbonyl]amino}-1-methyl-N-{4-[(1-methyl-1H-pyrrol-3-yl)amino]-4-oxobutyl}-1H-imidazole-2-carboxamide | Formula: | C22 H28 N8 O4 | SMILES: | c2(C(=O)NCCCC(=O)Nc1ccn(C)c1)n(cc(n2)NC(c3cc(cn3C)NC(C)=O)=O)C | InChi: | InChI=1S/C22H28N8O4/c1-14(31)24-16-10-17(29(3)12-16)21(33)27-18-13-30(4)20(26-18)22(34)23-8-5-6-19(32)25-15-7-9-28(2)11-15/h7,9-13H,5-6,8H2,1-4H3,(H,23,34)(H,24,31)(H,25,32)(H,27,33) | Definition date: | 2017-11-08 | Last modified: | 2018-02-23 | Release date: | 2018-02-28 | Identifier: | 4-{[4-(acetylamino)-1-methyl-1H-pyrrole-2-carbonyl]amino}-1-methyl-N-{4-[(1-methyl-1H-pyrrol-3-yl)amino]-4-oxobutyl}-1H-imidazole-2-carboxamide |
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![DY2 DY2](https://data.pdbj.org/pdbjplus/data/cc/svg/DY2.svg) | DY2 | Name: | 7-methoxy-3-methyl-2-[5-[4-(trifluoromethyloxy)phenyl]pyridin-3-yl]quinolin-4-ol | Formula: | C23 H17 F3 N2 O3 | SMILES: | COc1ccc2c(O)c(C)c(nc2c1)c3cncc(c3)c4ccc(OC(F)(F)F)cc4 | InChi: | InChI=1S/C23H17F3N2O3/c1-13-21(28-20-10-18(30-2)7-8-19(20)22(13)29)16-9-15(11-27-12-16)14-3-5-17(6-4-14)31-23(24,25)26/h3-12H,1-2H3,(H,28,29) | Definition date: | 2018-02-05 | Last modified: | 2018-02-23 | Release date: | 2018-02-28 | Identifier: | 7-methoxy-3-methyl-2-[5-[4-(trifluoromethyloxy)phenyl]pyridin-3-yl]quinolin-4-ol |
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![E5E E5E](https://data.pdbj.org/pdbjplus/data/cc/svg/E5E.svg) | E5E | Name: | Noradrenaline | Formula: | C8 H12 N O3 | SMILES: | [NH3+]C[CH](O)c1ccc(O)c(O)c1 | InChi: | InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/p+1/t8-/m0/s1 | Definition date: | 2018-02-19 | Last modified: | 2018-02-23 | Release date: | 2018-02-28 | Identifier: | [(2~{R})-2-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-ethyl]azanium |
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![E7S E7S](https://data.pdbj.org/pdbjplus/data/cc/svg/E7S.svg) | E7S | Name: | (5,6-dimethyl-1H-benzimidazol-2-yl)methanol | Formula: | C10 H12 N2 O | SMILES: | c21c(cc(C)c(c1)C)nc(CO)n2 | InChi: | InChI=1S/C10H12N2O/c1-6-3-8-9(4-7(6)2)12-10(5-13)11-8/h3-4,13H,5H2,1-2H3,(H,11,12) | Definition date: | 2017-12-06 | Last modified: | 2018-02-23 | Release date: | 2018-02-28 | Identifier: | (5,6-dimethyl-1H-benzimidazol-2-yl)methanol |
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![E7V E7V](https://data.pdbj.org/pdbjplus/data/cc/svg/E7V.svg) | E7V | Name: | 4-bromo-6-[(3,4-dichlorophenyl)sulfanyl]-1-{[4-(dimethylcarbamoyl)phenyl]methyl}-1H-indole-2-carboxylic acid | Formula: | C25 H19 Br Cl2 N2 O3 S | SMILES: | c32c(cc(Sc1cc(c(Cl)cc1)Cl)cc2Br)n(c(c3)C(O)=O)Cc4ccc(cc4)C(=O)N(C)C | InChi: | InChI=1S/C25H19BrCl2N2O3S/c1-29(2)24(31)15-5-3-14(4-6-15)13-30-22-11-17(34-16-7-8-20(27)21(28)10-16)9-19(26)18(22)12-23(30)25(32)33/h3-12H,13H2,1-2H3,(H,32,33) | Definition date: | 2017-12-06 | Last modified: | 2018-02-23 | Release date: | 2018-02-28 | Identifier: | 4-bromo-6-[(3,4-dichlorophenyl)sulfanyl]-1-{[4-(dimethylcarbamoyl)phenyl]methyl}-1H-indole-2-carboxylic acid |
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![D86 D86](https://data.pdbj.org/pdbjplus/data/cc/svg/D86.svg) | D86 | Name: | [azanyl(piperidin-1-yl)methylidene]azanium | Formula: | C6 H14 N3 | SMILES: | NC(=[NH2+])N1CCCCC1 | InChi: | InChI=1S/C6H13N3/c7-6(8)9-4-2-1-3-5-9/h1-5H2,(H3,7,8)/p+1 | Definition date: | 2016-12-22 | Last modified: | 2018-02-23 | Release date: | 2018-02-28 | Identifier: | [azanyl(piperidin-1-yl)methylidene]azanium |
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![AOK AOK](https://data.pdbj.org/pdbjplus/data/cc/svg/AOK.svg) | AOK | Name: | ~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(5-methyl-1~{H}-benzimidazol-2-yl)ethanamine | Formula: | C25 H26 Cl N3 | SMILES: | CCc1ccccc1c2ccc(CNCCc3[nH]c4ccc(C)cc4n3)cc2Cl | InChi: | InChI=1S/C25H26ClN3/c1-3-19-6-4-5-7-20(19)21-10-9-18(15-22(21)26)16-27-13-12-25-28-23-11-8-17(2)14-24(23)29-25/h4-11,14-15,27H,3,12-13,16H2,1-2H3,(H,28,29) | Definition date: | 2017-08-22 | Last modified: | 2018-02-23 | Release date: | 2018-02-28 | Identifier: | ~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(5-methyl-1~{H}-benzimidazol-2-yl)ethanamine |
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![AOW AOW](https://data.pdbj.org/pdbjplus/data/cc/svg/AOW.svg) | AOW | Name: | [2-[2-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methylamino]ethyl]-3~{H}-benzimidazol-4-yl]-oxidanyl-oxidanylidene-azanium | Formula: | C24 H24 Cl N4 O2 | SMILES: | CCc1ccccc1c2ccc(CNCCc3[nH]c4c(cccc4[N+](O)=O)n3)cc2Cl | InChi: | InChI=1S/C24H24ClN4O2/c1-2-17-6-3-4-7-18(17)19-11-10-16(14-20(19)25)15-26-13-12-23-27-21-8-5-9-22(29(30)31)24(21)28-23/h3-11,14,26H,2,12-13,15H2,1H3,(H,27,28)(H,30,31)/q+1 | Definition date: | 2017-08-22 | Last modified: | 2018-02-23 | Release date: | 2018-02-28 | Identifier: | [2-[2-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methylamino]ethyl]-3~{H}-benzimidazol-4-yl]-oxidanyl-oxidanylidene-azanium |
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![AQ8 AQ8](https://data.pdbj.org/pdbjplus/data/cc/svg/AQ8.svg) | AQ8 | Name: | ~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(4-methoxy-1~{H}-benzimidazol-2-yl)ethanamine | Formula: | C25 H26 Cl N3 O | SMILES: | CCc1ccccc1c2ccc(CNCCc3[nH]c4cccc(OC)c4n3)cc2Cl | InChi: | InChI=1S/C25H26ClN3O/c1-3-18-7-4-5-8-19(18)20-12-11-17(15-21(20)26)16-27-14-13-24-28-22-9-6-10-23(30-2)25(22)29-24/h4-12,15,27H,3,13-14,16H2,1-2H3,(H,28,29) | Definition date: | 2017-08-22 | Last modified: | 2018-02-23 | Release date: | 2018-02-28 | Identifier: | ~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(4-methoxy-1~{H}-benzimidazol-2-yl)ethanamine |
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![AQT AQT](https://data.pdbj.org/pdbjplus/data/cc/svg/AQT.svg) | AQT | Name: | ~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(5-methoxy-1~{H}-benzimidazol-2-yl)ethanamine | Formula: | C25 H26 Cl N3 O | SMILES: | CCc1ccccc1c2ccc(CNCCc3[nH]c4ccc(OC)cc4n3)cc2Cl | InChi: | InChI=1S/C25H26ClN3O/c1-3-18-6-4-5-7-20(18)21-10-8-17(14-22(21)26)16-27-13-12-25-28-23-11-9-19(30-2)15-24(23)29-25/h4-11,14-15,27H,3,12-13,16H2,1-2H3,(H,28,29) | Definition date: | 2017-08-22 | Last modified: | 2018-02-23 | Release date: | 2018-02-28 | Identifier: | ~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(5-methoxy-1~{H}-benzimidazol-2-yl)ethanamine |
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![AQW AQW](https://data.pdbj.org/pdbjplus/data/cc/svg/AQW.svg) | AQW | Name: | 2-(5-chloranyl-1~{H}-benzimidazol-2-yl)-~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]ethanamine | Formula: | C24 H23 Cl2 N3 | SMILES: | CCc1ccccc1c2ccc(CNCCc3[nH]c4ccc(Cl)cc4n3)cc2Cl | InChi: | InChI=1S/C24H23Cl2N3/c1-2-17-5-3-4-6-19(17)20-9-7-16(13-21(20)26)15-27-12-11-24-28-22-10-8-18(25)14-23(22)29-24/h3-10,13-14,27H,2,11-12,15H2,1H3,(H,28,29) | Definition date: | 2017-08-22 | Last modified: | 2018-02-23 | Release date: | 2018-02-28 | Identifier: | 2-(5-chloranyl-1~{H}-benzimidazol-2-yl)-~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]ethanamine |
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![AU8 AU8](https://data.pdbj.org/pdbjplus/data/cc/svg/AU8.svg) | AU8 | Name: | [3,5-bis(chloranyl)-4-phenyl-phenyl]methylazanium | Formula: | C13 H12 Cl2 N | SMILES: | [NH3+]Cc1cc(Cl)c(c(Cl)c1)c2ccccc2 | InChi: | InChI=1S/C13H11Cl2N/c14-11-6-9(8-16)7-12(15)13(11)10-4-2-1-3-5-10/h1-7H,8,16H2/p+1 | Definition date: | 2017-08-22 | Last modified: | 2018-02-23 | Release date: | 2018-02-28 | Identifier: | [3,5-bis(chloranyl)-4-phenyl-phenyl]methylazanium |
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![AUH AUH](https://data.pdbj.org/pdbjplus/data/cc/svg/AUH.svg) | AUH | Name: | 2-(1~{H}-benzimidazol-2-yl)-~{N}-[[4-(2-ethylphenyl)-3-methoxy-phenyl]methyl]ethanamine | Formula: | C25 H27 N3 O | SMILES: | CCc1ccccc1c2ccc(CNCCc3[nH]c4ccccc4n3)cc2OC | InChi: | InChI=1S/C25H27N3O/c1-3-19-8-4-5-9-20(19)21-13-12-18(16-24(21)29-2)17-26-15-14-25-27-22-10-6-7-11-23(22)28-25/h4-13,16,26H,3,14-15,17H2,1-2H3,(H,27,28) | Definition date: | 2017-08-22 | Last modified: | 2018-02-23 | Release date: | 2018-02-28 | Identifier: | 2-(1~{H}-benzimidazol-2-yl)-~{N}-[[4-(2-ethylphenyl)-3-methoxy-phenyl]methyl]ethanamine |
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