![L07 L07](https://data.pdbj.org/pdbjplus/data/cc/svg/L07.svg) | L07 | Name: | 2-propyl[1,3]thiazolo[4,5-c]quinolin-4-amine | Formula: | C13 H13 N3 S | SMILES: | n2c1ccccc1c3sc(nc3c2N)CCC | InChi: | InChI=1S/C13H13N3S/c1-2-5-10-16-11-12(17-10)8-6-3-4-7-9(8)15-13(11)14/h3-4,6-7H,2,5H2,1H3,(H2,14,15) | Synonyms: | CL075 | Definition date: | 2013-01-22 | Last modified: | 2021-03-13 | Release date: | 2013-04-03 | Identifier: | 2-propyl[1,3]thiazolo[4,5-c]quinolin-4-amine |
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![2Z3 2Z3](https://data.pdbj.org/pdbjplus/data/cc/svg/2Z3.svg) | 2Z3 | Name: | N-(morpholin-4-ylcarbonyl)-L-phenylalanyl-N-[(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-(methylamino)-4-oxobutyl]-L-norleucinamide | Formula: | C32 H49 F2 N5 O7 | SMILES: | O=C(NC(C(=O)NC(C(=O)NC(CC1CCCCC1)C(O)(O)C(F)(F)C(=O)NC)CCCC)Cc2ccccc2)N3CCOCC3 | InChi: | InChI=1S/C32H49F2N5O7/c1-3-4-15-24(27(40)38-26(21-23-13-9-6-10-14-23)32(44,45)31(33,34)29(42)35-2)36-28(41)25(20-22-11-7-5-8-12-22)37-30(43)39-16-18-46-19-17-39/h5,7-8,11-12,23-26,44-45H,3-4,6,9-10,13-21H2,1-2H3,(H,35,42)(H,36,41)(H,37,43)(H,38,40)/t24-,25-,26-/m0/s1 | Synonyms: | CP-81,282 | Definition date: | 2008-08-28 | Last modified: | 2021-03-13 | Identifier: | N-(morpholin-4-ylcarbonyl)-L-phenylalanyl-N-[(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-(methylamino)-4-oxobutyl]-L-norleucinamide |
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![2ZS 2ZS](https://data.pdbj.org/pdbjplus/data/cc/svg/2ZS.svg) | 2ZS | Name: | N-(morpholin-4-ylcarbonyl)-L-phenylalanyl-N-[(1R,2S)-1-(cyclohexylmethyl)-2-hydroxy-3-(1-methylethoxy)-3-oxopropyl]-S-methyl-L-cysteinamide | Formula: | C31 H48 N4 O7 S | SMILES: | O=C(NC(C(=O)NC(C(=O)NC(C(O)C(=O)OC(C)C)CC1CCCCC1)CSC)Cc2ccccc2)N3CCOCC3 | InChi: | InChI=1S/C31H48N4O7S/c1-21(2)42-30(39)27(36)24(18-22-10-6-4-7-11-22)32-29(38)26(20-43-3)33-28(37)25(19-23-12-8-5-9-13-23)34-31(40)35-14-16-41-17-15-35/h5,8-9,12-13,21-22,24-27,36H,4,6-7,10-11,14-20H2,1-3H3,(H,32,38)(H,33,37)(H,34,40)/t24-,25-,26-,27+/m0/s1 | Synonyms: | CP-80,794 | Definition date: | 2008-09-08 | Last modified: | 2021-03-13 | Identifier: | N-(morpholin-4-ylcarbonyl)-L-phenylalanyl-N-[(1S,2R)-1-(cyclohexylmethyl)-2-hydroxy-3-(1-methylethoxy)-3-oxopropyl]-S-methyl-L-cysteinamide |
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![L17 L17](https://data.pdbj.org/pdbjplus/data/cc/svg/L17.svg) | L17 | Name: | L17 | Formula: | C22 H20 Cl2 F2 N4 O3 | SMILES: | Clc1cccc(c1)C(NC(=O)Cc3[n+]([O-])c(NCC(F)(F)c2[n+]([O-])cccc2)ccc3Cl)C | InChi: | InChI=1S/C22H20Cl2F2N4O3/c1-14(15-5-4-6-16(23)11-15)28-21(31)12-18-17(24)8-9-20(30(18)33)27-13-22(25,26)19-7-2-3-10-29(19)32/h2-11,14,27H,12-13H2,1H3,(H,28,31)/t14-/m1/s1 | Synonyms: | 2-(3-CHLORO-6-{[2,2-DIFLUORO-2-(1-OXIDOPYRIDIN-2-YL)ETHYL]AMINO}-1-OXIDOPYRIDIN-2-YL)-N-[1-(3-CHLOROPHENYL)ETHYL]ACETAMIDE | Definition date: | 2005-04-04 | Last modified: | 2021-03-13 | Identifier: | 2-(3-chloro-6-{[2,2-difluoro-2-(1-oxidopyridin-2-yl)ethyl]amino}-1-oxidopyridin-2-yl)-N-[(1R)-1-(3-chlorophenyl)ethyl]acetamide |
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![301 301](https://data.pdbj.org/pdbjplus/data/cc/svg/301.svg) | 301 | Name: | N6-(penta-2,3-dienyl)adenine | Formula: | C10 H11 N5 | SMILES: | n1c(N=CCC=C/C)c2ncnc2nc1 | InChi: | InChI=1S/C10H11N5/c1-2-3-4-5-11-9-8-10(13-6-12-8)15-7-14-9/h2-3,5-7H,4H2,1H3,(H,12,13,14,15)/b3-2-,11-5+ | Synonyms: | N-[(1E,3Z)-pent-3-en-1-ylidene]-9H-purin-6-amine | Definition date: | 2008-01-14 | Last modified: | 2021-03-13 | Identifier: | N-[(1E,3Z)-pent-3-en-1-ylidene]-9H-purin-6-amine |
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![303 303](https://data.pdbj.org/pdbjplus/data/cc/svg/303.svg) | 303 | Name: | 6-[(Z)-AMINO(IMINO)METHYL]-N-(1-ISOPROPYL-1,2,3,4-TETRAHYDROISOQUINOLIN-7-YL)-2-NAPHTHAMIDE | Formula: | C24 H26 N4 O | SMILES: | O=C(c2cc1ccc(C(=[N@H])N)cc1cc2)Nc3ccc4c(c3)C(NCC4)C(C)C | InChi: | InChI=1S/C24H26N4O/c1-14(2)22-21-13-20(8-7-15(21)9-10-27-22)28-24(29)19-6-4-16-11-18(23(25)26)5-3-17(16)12-19/h3-8,11-14,22,27H,9-10H2,1-2H3,(H3,25,26)(H,28,29)/t22-/m0/s1 | Synonyms: | 6-[N-(1-ISOPROPYL-1,2,3,4-TETRAHYDRO-7-ISOQUINOLINYL)CARBAMYL]-2-NAPHTHALENECARBOXAMIDINE | Definition date: | 2003-04-09 | Last modified: | 2021-03-13 | Identifier: | 6-carbamimidoyl-N-[(1S)-1-(1-methylethyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]naphthalene-2-carboxamide |
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![L1E L1E](https://data.pdbj.org/pdbjplus/data/cc/svg/L1E.svg) | L1E | Name: | N~1~-(4-chlorophenyl)-6-methyl-N~5~-[3-(7H-purin-6-yl)pyridin-2-yl]isoquinoline-1,5-diamine | Formula: | C26 H19 Cl N8 | SMILES: | Clc1ccc(cc1)Nc2nccc3c2ccc(c3Nc6ncccc6c4ncnc5ncnc45)C | InChi: | InChI=1S/C26H19ClN8/c1-15-4-9-19-18(10-12-29-24(19)34-17-7-5-16(27)6-8-17)21(15)35-25-20(3-2-11-28-25)22-23-26(32-13-30-22)33-14-31-23/h2-14H,1H3,(H,28,35)(H,29,34)(H,30,31,32,33) | Synonyms: | N5-(3-(9H-purin-6-yl)pyridin-2-yl)-N1-(4-chlorophenyl)-6-methylisoquinoline-1,5-diamine | Definition date: | 2009-08-03 | Last modified: | 2021-03-13 | Identifier: | N~1~-(4-chlorophenyl)-6-methyl-N~5~-[3-(7H-purin-6-yl)pyridin-2-yl]isoquinoline-1,5-diamine |
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![L1P L1P](https://data.pdbj.org/pdbjplus/data/cc/svg/L1P.svg) | L1P | Name: | 3-PHOSPHORYL-[1,2-DI-PHYTANYL]GLYCEROL | Formula: | C43 H89 O6 P | SMILES: | O=P(O)(O)OCC(OCCC(CCCC(C)CCCC(C)CCCC(C)C)C)COCCC(C)CCCC(C)CCCC(C)CCCC(C)C | InChi: | InChI=1S/C43H89O6P/c1-35(2)17-11-19-37(5)21-13-23-39(7)25-15-27-41(9)29-31-47-33-43(34-49-50(44,45)46)48-32-30-42(10)28-16-26-40(8)24-14-22-38(6)20-12-18-36(3)4/h35-43H,11-34H2,1-10H3,(H2,44,45,46)/t37-,38-,39-,40-,41-,42-,43+/m1/s1 | Synonyms: | 1,2-DI-1-(3,7,11,15-TETRAMETHYL-HEXADECANE)-SN-GLYCERO-3-PHOSPHATE | Definition date: | 1999-09-22 | Last modified: | 2021-03-13 | Identifier: | (2S)-2,3-bis{[(3R,7R,11R)-3,7,11,15-tetramethylhexadecyl]oxy}propyl dihydrogen phosphate |
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![L2D L2D](https://data.pdbj.org/pdbjplus/data/cc/svg/L2D.svg) | L2D | Name: | {2,2'-[(1R,2R)-cyclohexane-1,2-diylbis{[(pyridin-2-yl-kappaN)methyl]imino-kappaN}]diacetato-kappaO(2-)}iron | Formula: | C22 H26 Fe N4 O4 | SMILES: | O=C6O[Fe]2587OC(=O)CN8(Cc1n2cccc1)C3CCCCC3N7(Cc4ccccn45)C6 | InChi: | InChI=1S/C22H28N4O4.Fe/c27-21(28)15-25(13-17-7-3-5-11-23-17)19-9-1-2-10-20(19)26(16-22(29)30)14-18-8-4-6-12-24-18 | Synonyms: | Fe(1R,2R)-N,N'-Bis(2-pyridylmethyl)-N,N'-dicarboxymethyl-1,2-cyclohexanediamine | Definition date: | 2012-02-16 | Last modified: | 2021-03-13 | Identifier: | {2,2'-[(1R,2R)-cyclohexane-1,2-diylbis{[(pyridin-2-yl-kappaN)methyl]imino-kappaN}]diacetato-kappaO(2-)}iron (non-preferred name) |
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![L2P L2P](https://data.pdbj.org/pdbjplus/data/cc/svg/L2P.svg) | L2P | Name: | 2,3-DI-PHYTANYL-GLYCEROL | Formula: | C43 H88 O3 | SMILES: | OCC(OCCC(CCCC(CCCC(C)CCCC(C)C)C)C)COCCC(C)CCCC(C)CCCC(C)CCCC(C)C | InChi: | InChI=1S/C43H88O3/c1-35(2)17-11-19-37(5)21-13-23-39(7)25-15-27-41(9)29-31-45-34-43(33-44)46-32-30-42(10)28-16-26-40(8)24-14-22-38(6)20-12-18-36(3)4/h35-44H,11-34H2,1-10H3/t37-,38-,39-,40-,41-,42-,43-/m1/s1 | Synonyms: | 1,2-DI-1-(3,7,11,15-TETRAMETHYL-HEXADECANE)-SN-GLYCEROL | Definition date: | 1999-09-22 | Last modified: | 2021-03-13 | Identifier: | (2R)-2,3-bis{[(3R,7R,11R)-3,7,11,15-tetramethylhexadecyl]oxy}propan-1-ol |
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![323 323](https://data.pdbj.org/pdbjplus/data/cc/svg/323.svg) | 323 | Name: | 2-[3,6-bis(dimethylamino)xanthen-9-yl]-5-methanoyl-benzoate | Formula: | C25 H22 N2 O4 | SMILES: | [O-]C(=O)c4cc(C=O)ccc4C=1c3c(OC=2C=1C=C/C(=[N+](/C)C)C=2)cc(cc3)N(C)C | InChi: | InChI=1S/C25H22N2O4/c1-26(2)16-6-9-19-22(12-16)31-23-13-17(27(3)4)7-10-20(23)24(19)18-8-5-15(14-28)11-21(18)25(29)30/h5-14H,1-4H3 | Synonyms: | 5-Carboxy-N,N'-tetramethyl rhodamine | Definition date: | 2008-06-30 | Last modified: | 2021-03-13 | Identifier: | 2-[6-(dimethylamino)-3-(dimethyliminio)-3H-xanthen-9-yl]-5-formylbenzoate |
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![L4D L4D](https://data.pdbj.org/pdbjplus/data/cc/svg/L4D.svg) | L4D | Name: | {(S)-N-(2-{methyl[(pyridin-2-yl-kappaN)methyl]amino-kappaN}ethyl)-N-[(pyridin-2-yl-kappaN)methyl]glycinato-kappa~2~N,O}iron(2+) | Formula: | C17 H21 Fe N4 O2 | SMILES: | O=C5O[Fe+2]346n1ccccc1CN6(CCN4(Cc2ccccn23)C)C5 | InChi: | InChI=1S/C17H22N4O2.Fe/c1-20(12-15-6-2-4-8-18-15)10-11-21(14-17(22)23)13-16-7-3-5-9-19-16 | Synonyms: | {N,N'-Bis(2-pyridylmethyl)-N-carboxymethyl-N'-methyl}iron(2+) | Definition date: | 2012-12-13 | Last modified: | 2021-03-13 | Release date: | 2013-04-17 | Identifier: | {(S)-N-(2-{methyl[(pyridin-2-yl-kappaN)methyl]amino-kappaN}ethyl)-N-[(pyridin-2-yl-kappaN)methyl]glycinato-kappa~2~N,O}iron(2+) |
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![33N 33N](https://data.pdbj.org/pdbjplus/data/cc/svg/33N.svg) | 33N | Name: | N-(3,3-diphenylpropyl)pyridine-3-carboxamide | Formula: | C21 H20 N2 O | SMILES: | O=C(NCCC(c1ccccc1)c2ccccc2)c3cccnc3 | InChi: | InChI=1S/C21H20N2O/c24-21(19-12-7-14-22-16-19)23-15-13-20(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-12,14,16,20H,13,15H2,(H,23,24) | Synonyms: | N-(3,3-Diphenyl-propyl)-nicotinamide | Definition date: | 2009-07-01 | Last modified: | 2021-03-13 | Identifier: | N-(3,3-diphenylpropyl)pyridine-3-carboxamide |
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![34R 34R](https://data.pdbj.org/pdbjplus/data/cc/svg/34R.svg) | 34R | Name: | (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1R)-1-phenylphthalazin-2(1H)-yl]prop-2-en-1-one | Formula: | C30 H28 N6 O3 | SMILES: | O=C(C=Cc1cc(cc(OC)c1OC)Cc2cnc(nc2N)N)N5N=Cc3ccccc3C5c4ccccc4 | InChi: | InChI=1S/C30H28N6O3/c1-38-25-16-19(15-23-17-33-30(32)35-29(23)31)14-21(28(25)39-2)12-13-26(37)36-27(20-8-4-3-5-9-20)24-11-7-6-10-22(24)18-34-36/h3-14,16-18,27H,15H2,1-2H3,(H4,31,32,33,35)/b13-12+/t27-/m1/s1 | Synonyms: | (R,E)-3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-dimethoxyphenyl)-1-(1-phenylphthalazin-2(1H)-yl)prop-2-en-1-one | Definition date: | 2012-04-17 | Last modified: | 2021-03-13 | Release date: | 2013-02-08 | Identifier: | (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1R)-1-phenylphthalazin-2(1H)-yl]prop-2-en-1-one |
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![34S 34S](https://data.pdbj.org/pdbjplus/data/cc/svg/34S.svg) | 34S | Name: | (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-phenylphthalazin-2(1H)-yl]prop-2-en-1-one | Formula: | C30 H28 N6 O3 | SMILES: | O=C(C=Cc1cc(cc(OC)c1OC)Cc2cnc(nc2N)N)N5N=Cc3ccccc3C5c4ccccc4 | InChi: | InChI=1S/C30H28N6O3/c1-38-25-16-19(15-23-17-33-30(32)35-29(23)31)14-21(28(25)39-2)12-13-26(37)36-27(20-8-4-3-5-9-20)24-11-7-6-10-22(24)18-34-36/h3-14,16-18,27H,15H2,1-2H3,(H4,31,32,33,35)/b13-12+/t27-/m0/s1 | Synonyms: | (S,E)-3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-dimethoxyphenyl)-1-(1-phenylphthalazin-2(1H)-yl)prop-2-en-1-one | Definition date: | 2012-04-17 | Last modified: | 2021-03-13 | Release date: | 2013-02-08 | Identifier: | (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-phenylphthalazin-2(1H)-yl]prop-2-en-1-one |
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![L75 L75](https://data.pdbj.org/pdbjplus/data/cc/svg/L75.svg) | L75 | Name: | N-[2(R)-HYDROXY-1(S)-INDANYL]-2(R)-PHENYLMETHYL-4(S)-HYDROXY-5-[4-[2-BENZOFURANYLMETHYL]-2(S)-[TERT-BUTYLAMINOCARBONYL]-PIPERAZINYL]-PENTANEAMIDE | Formula: | C39 H48 N4 O5 | SMILES: | O=C(NC2c1ccccc1CC2O)C(Cc3ccccc3)CC(O)CN4C(C(=O)NC(C)(C)C)CN(CC4)Cc6oc5ccccc5c6 | InChi: | InChI=1S/C39H48N4O5/c1-39(2,3)41-38(47)33-25-42(24-31-21-28-14-8-10-16-35(28)48-31)17-18-43(33)23-30(44)20-29(19-26-11-5-4-6-12-26)37(46)40-36-32-15-9-7-13-27(32)22-34(36)45/h4-16,21,29-30,33-34,36,44-45H,17-20,22-25H2,1-3H3,(H,40,46)(H,41,47)/t29-,30+,33+,34-,36+/m1/s1 | Synonyms: | L-756,423 | Definition date: | 2000-01-04 | Last modified: | 2021-03-13 | Identifier: | (2S)-4-(1-benzofuran-2-ylmethyl)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-5-oxopentyl]-N-tert-butylpiperazine-2-carboxamide (non-preferred name) |
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![L9D L9D](https://data.pdbj.org/pdbjplus/data/cc/svg/L9D.svg) | L9D | Name: | (1S,2R,3S,4S,5S,6R)-2-amino-3,4,5,6-tetrahydroxycyclohexane-1-carboxylic acid | Formula: | C7 H13 N O6 | SMILES: | C1(C(C(C(C(C1N)C(O)=O)O)O)O)O | InChi: | InChI=1S/C7H13NO6/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h1-6,9-12H,8H2,(H,13,14)/t1-,2+,3+,4-,5-,6-/m0/s1 | Synonyms: | cyclophellitol-aziridine, open form | Definition date: | 2019-02-14 | Last modified: | 2021-03-13 | Release date: | 2019-12-18 | Identifier: | (1S,2R,3S,4S,5S,6R)-2-amino-3,4,5,6-tetrahydroxycyclohexane-1-carboxylic acid |
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![L9P L9P](https://data.pdbj.org/pdbjplus/data/cc/svg/L9P.svg) | L9P | Name: | Voxilaprevir | Formula: | C40 H52 F4 N6 O9 S | SMILES: | C63C(C(C(NC1(C(C1)C(F)F)C(=O)NS(C2(CC2)C)(=O)=O)=O)N(C3)C(=O)C(NC(OC7C(CCCCC(c5c(nc4c(ccc(c4)OC)n5)O6)(F)F)C7)=O)C(C)(C)C)CC | InChi: | InChI=1S/C40H52F4N6O9S/c1-7-22-27-19-50(28(22)32(51)48-39(18-23(39)31(41)42)35(53)49-60(55,56)38(5)14-15-38)34(52)30(37(2,3)4)47-36(54)59-26-16-20(26)10-8-9-13-40(43,44)29-33(58-27)46-25-17-21(57-6)11-12-24(25)45-29/h11-12,17,20,22-23,26-28,30-31H,7-10,13-16,18-19H2,1-6H3,(H,47,54)(H,48,51)(H,49,53)/t20-,22-,23+,26-,27+,28+,30-,39-/m1/s1 | Synonyms: | (1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-9-ethyl-18,18-difluoro-14-methoxy-3,6-dioxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxamide | Definition date: | 2019-02-15 | Last modified: | 2021-03-13 | Release date: | 2019-07-10 | Identifier: | (1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-9-ethyl-18,18-difluoro-14-methoxy-3,6-dioxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxamide |
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![IH5 IH5](https://data.pdbj.org/pdbjplus/data/cc/svg/IH5.svg) | IH5 | Name: | {3,5-DICHLORO-4-[4-HYDROXY-3-(PROPAN-2-YL)PHENOXY]PHENYL}ACETIC ACID | Formula: | C17 H16 Cl2 O4 | SMILES: | Clc2cc(cc(Cl)c2Oc1cc(c(O)cc1)C(C)C)CC(=O)O | InChi: | InChI=1S/C17H16Cl2O4/c1-9(2)12-8-11(3-4-15(12)20)23-17-13(18)5-10(6-14(17)19)7-16(21)22/h3-6,8-9,20H,7H2,1-2H3,(H,21,22) | Synonyms: | 3,5-DICHLORO-4-[(4-HYDROXY-3-ISOPROPYLPHENOXY)PHENYL]ACETIC ACID | Definition date: | 2003-05-05 | Last modified: | 2021-03-13 | Identifier: | {3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenoxy]phenyl}acetic acid |
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![IMW IMW](https://data.pdbj.org/pdbjplus/data/cc/svg/IMW.svg) | IMW | Name: | 2-methyl-5-(1-methylethyl)cyclohexa-2,5-diene-1,4-dione | Formula: | C10 H12 O2 | SMILES: | O=C1C=C(C(=O)C=C1C(C)C)C | InChi: | InChI=1S/C10H12O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6H,1-3H3 | Synonyms: | Thymoquinone | Definition date: | 2010-05-06 | Last modified: | 2021-03-13 | Identifier: | 2-methyl-5-(propan-2-yl)cyclohexa-2,5-diene-1,4-dione |
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![IMY IMY](https://data.pdbj.org/pdbjplus/data/cc/svg/IMY.svg) | IMY | Name: | 1-{[4,5-BIS(4-CHLOROPHENYL)-2-(2-ISOPROPOXY-4-METHOXYPHENYL)-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]CARBONYL}PIPERAZINE | Formula: | C30 H32 Cl2 N4 O3 | SMILES: | O=C(N2C(=NC(c1ccc(Cl)cc1)C2c3ccc(Cl)cc3)c4ccc(OC)cc4OC(C)C)N5CCNCC5 | InChi: | InChI=1S/C30H32Cl2N4O3/c1-19(2)39-26-18-24(38-3)12-13-25(26)29-34-27(20-4-8-22(31)9-5-20)28(21-6-10-23(32)11-7-21)36(29)30(37)35-16-14-33-15-17-35/h4-13,18-19,27-28,33H,14-17H2,1-3H3/t27-,28+/m0/s1 | Synonyms: | CIS-[4,5-BIS-(4-CHLOROPHENYL)-2-(2-ISOPROPOXY-4-METHOXYPHENYL)-4,5-DIHYD ROIMIDAZOL-1-YL]-PIPERAZIN-1-YL-METHANONE | Definition date: | 2004-06-28 | Last modified: | 2021-03-13 | Identifier: | 1-({(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(1-methylethoxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazine |
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![ION ION](https://data.pdbj.org/pdbjplus/data/cc/svg/ION.svg) | ION | Name: | ARISTOLOCHENE | Formula: | C15 H24 | SMILES: | C2=C1CCCC(C)C1(CC(C(=C)C)C2)C | InChi: | InChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h9,12-13H,1,5-8,10H2,2-4H3/t12-,13-,15+/m0/s1 | Synonyms: | 6-ISOPROPENYL-4,4A-DIMETHYL-1,2,3,4,4A,5,6,7-OCTAHYDRO-NAPHTHALENE | Definition date: | 2000-06-01 | Last modified: | 2021-03-13 | Identifier: | (4S,4aR,6S)-4,4a-dimethyl-6-(1-methylethenyl)-1,2,3,4,4a,5,6,7-octahydronaphthalene |
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![IP5 IP5](https://data.pdbj.org/pdbjplus/data/cc/svg/IP5.svg) | IP5 | Name: | (1R,2S,3R,4S,5S,6R)-6-HYDROXYCYCLOHEXANE-1,2,3,4,5-PENTAYL PENTAKIS[DIHYDROGEN (PHOSPHATE)] | Formula: | C6 H17 O21 P5 | SMILES: | O=P(OC1C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O)(O)O | InChi: | InChI=1S/C6H17O21P5/c7-1-2(23-28(8,9)10)4(25-30(14,15)16)6(27-32(20,21)22)5(26-31(17,18)19)3(1)24-29(11,12)13/h1-7H,(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 | Synonyms: | D-MYO-INS(1,2,3,4,5)P5 | Definition date: | 2006-08-25 | Last modified: | 2021-03-13 | Identifier: | (1R,2S,3R,4S,5S,6R)-6-hydroxycyclohexane-1,2,3,4,5-pentayl pentakis[dihydrogen (phosphate)] |
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![364 364](https://data.pdbj.org/pdbjplus/data/cc/svg/364.svg) | 364 | Name: | 3-BIPHENYL-3-YL-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM | Formula: | C19 H20 N O7 P2 | SMILES: | O=P(O)(O)C(O)(P(=O)(O)O)C[n+]3cccc(c2cc(c1ccccc1)ccc2)c3 | InChi: | InChI=1S/C19H19NO7P2/c21-19(28(22,23)24,29(25,26)27)14-20-11-5-10-18(13-20)17-9-4-8-16(12-17)15-6-2-1-3-7-15/h1-13,21H,14H2,(H3-,22,23,24,25,26,27)/p+1 | Synonyms: | 3-BIPHENYL-3-YL-1-(2-HYDROXY-2,2-BIS-PHOSPHONO-ETHYL)-PYRIDINIUM | Definition date: | 2007-01-30 | Last modified: | 2021-03-13 | Identifier: | 3-biphenyl-3-yl-1-(2-hydroxy-2,2-diphosphonoethyl)pyridinium |
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![365 365](https://data.pdbj.org/pdbjplus/data/cc/svg/365.svg) | 365 | Name: | [(1S,5R,6R,7'S,8R)-7'-(aminomethyl)-6-(6-aminopurin-9-yl)-2'-(3-oxidanylpropoxy)spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,9'-8-oxa-9-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-8-yl]methyl dihydrogen phosphate | Formula: | C21 H27 B N6 O10 P | SMILES: | NC[CH]1O[B-]2(O[CH]3[CH](CO[P](O)(O)=O)O[CH]([CH]3O2)n4cnc5c(N)ncnc45)c6c(OCCCO)cccc16 | InChi: | InChI=1S/C21H27BN6O10P/c23-7-13-11-3-1-4-12(33-6-2-5-29)15(11)22(36-13)37-17-14(8-34-39(30,31)32)35-21(18(17)38-22)28-10-27-16-19(24)25-9-26-20(16)28/h1,3-4,9-10,13-14,17-18,21,29H,2,5-8,23H2,(H2,24,25,26)(H2,30,31,32)/q-1/p-2/t13-,14-,17-,18-,21-,22+/m1/s1 | Synonyms: | 3-AMINOMETHYL-7-(3-HYDROXY-PROPOXY)-3H-BENZO[C][1,2]OXABOROL-1-OL modified adenosine | Definition date: | 2013-01-21 | Last modified: | 2021-03-13 | Release date: | 2013-04-17 | Identifier: | [(1S,5R,6R,7'S,8R)-7'-(aminomethyl)-6-(6-aminopurin-9-yl)-2'-(3-oxidanylpropoxy)spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,9'-8-oxa-9-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-8-yl]methyl dihydrogen phosphate |
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