 | | 803 | | Name: | LOVASTATIN | | Formula: | C24 H36 O5 | | SMILES: | O=C(OC1C3C(=CC(C)C1)C=CC(C3CCC2OC(=O)CC(O)C2)C)C(C)CC | | InChi: | InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19+,20-,21-,23-/m0/s1 | | Synonyms: | MK-803 | | Definition date: | 1999-08-11 | | Last modified: | 2020-06-17 | | Identifier: | (1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl (2S)-2-methylbutanoate |
|
 | | 808 | | Name: | N-[(2S)-5-{[5-(trifluoromethyl)furan-2-yl]methyl}-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide | | Formula: | C18 H20 F3 N O3 S | | SMILES: | FC(F)(F)c1oc(cc1)Cc2ccc3c(c2)CC(NS(=O)(=O)C(C)C)C3 | | InChi: | InChI=1S/C18H20F3NO3S/c1-11(2)26(23,24)22-15-9-13-4-3-12(7-14(13)10-15)8-16-5-6-17(25-16)18(19,20)21/h3-7,11,15,22H,8-10H2,1-2H3/t15-/m0/s1 | | Synonyms: | (S)-N-(5-((5-(trifluoromethyl)furan-2-yl)methyl)-2,3-dihydro-1H-inden-2-yl)propane-2-sulfonamide | | Definition date: | 2010-11-23 | | Last modified: | 2020-06-17 | | Identifier: | N-[(2S)-5-{[5-(trifluoromethyl)furan-2-yl]methyl}-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide |
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 | | HS6 | | Name: | 2-[(4-fluorophenyl)sulfonylamino]-N-oxo-ethanamide | | Formula: | C8 H7 F N2 O4 S | | SMILES: | O=S(=O)(c1ccc(F)cc1)NCC(=O)N=O | | InChi: | InChI=1S/C8H7FN2O4S/c9-6-1-3-7(4-2-6)16(14,15)10-5-8(12)11-13/h1-4,10H,5H2 | | Synonyms: | 4-fluoro-N-(2-nitroso-2-oxoethyl)benzenesulfonamide | | Definition date: | 2008-11-04 | | Last modified: | 2020-06-17 | | Identifier: | N~2~-[(4-fluorophenyl)sulfonyl]-N-oxoglycinamide |
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 | | HS7 | | Name: | N-oxo-2-(phenylsulfonylamino)ethanamide | | Formula: | C8 H8 N2 O4 S | | SMILES: | O=S(=O)(NCC(=O)N=O)c1ccccc1 | | InChi: | InChI=1S/C8H8N2O4S/c11-8(10-12)6-9-15(13,14)7-4-2-1-3-5-7/h1-5,9H,6H2 | | Synonyms: | N-(2-nitroso-2-oxoethyl)benzenesulfonamide | | Definition date: | 2008-11-04 | | Last modified: | 2020-06-17 | | Identifier: | N-oxo-N~2~-(phenylsulfonyl)glycinamide |
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 | | HSS | | Name: | 5'-O-[(L-HISTIDYLAMINO)SULFONYL]ADENOSINE | | Formula: | C16 H21 N9 O7 S | | SMILES: | O=C(NS(=O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)Cc4cncn4 | | InChi: | InChI=1S/C16H21N9O7S/c17-8(1-7-2-19-4-20-7)15(28)24-33(29,30)31-3-9-11(26)12(27)16(32-9)25-6-23-10-13(18)21-5-22-14(10)25/h2,4-6,8-9,11-12,16,26-27H,1,3,17H2,(H,19,20)(H,24,28)(H2,18,21,22)/t8-,9+,11+,12+,16+/m0/s1 | | Synonyms: | 5'-O-[N-(L-HISTIDYL)SULFAMOYL]ADENOSINE | | Definition date: | 2007-05-25 | | Last modified: | 2020-06-17 | | Identifier: | 5'-O-(L-histidylsulfamoyl)adenosine |
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 | | 817 | | Name: | 1-{[N-(1-IMINO-GUANIDINO-METHYL)]SULFANYLMETHYL}-3-TRIFLUOROMETHYL-BENZENE | | Formula: | C10 H11 F3 N4 S | | SMILES: | FC(F)(F)c1cccc(c1)CSC(=[N@H])NC(=[N@H])N | | InChi: | InChI=1S/C10H11F3N4S/c11-10(12,13)7-3-1-2-6(4-7)5-18-9(16)17-8(14)15/h1-4H,5H2,(H5,14,15,16,17) | | Synonyms: | 3-(TRIFLUOROMETHYL)BENZYL N-[(E)-AMINO(IMINO)METHYL]IMIDOTHIOCARBAMATE | | Definition date: | 2005-08-29 | | Last modified: | 2020-06-17 | | Identifier: | 3-(trifluoromethyl)benzyl N-carbamimidoylimidothiocarbamate |
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 | | HT2 | | Name: | 5-AMIDINO-2-[2-(4-AMIDINOPHENYL)-5-BENZIMIDAZOLYL]BENZIMIDAZOLE | | Formula: | C22 H18 N8 | | SMILES: | [N@H]=C(N)c1ccc(cc1)c5nc4ccc(c3nc2ccc(cc2n3)C(=[N@H])N)cc4n5 | | InChi: | InChI=1S/C22H18N8/c23-19(24)11-1-3-12(4-2-11)21-27-16-8-6-14(10-18(16)29-21)22-28-15-7-5-13(20(25)26)9-17(15)30-22/h1-10H,(H3,23,24)(H3,25,26)(H,27,29)(H,28,30) | | Synonyms: | BIS-AMIDINIUM DERIVATIVE OF HOECHST 33258 | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | 2'-(4-carbamimidoylphenyl)-1H,3'H-2,5'-bibenzimidazole-6-carboximidamide |
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 | | 821 | | Name: | [4-((1Z)-2-(ACETYLAMINO)-3-{[1-(1,1'-BIPHENYL-4-YLMETHYL)-2-OXOAZEPAN-3-YL]AMINO}-3-OXOPROP-1-ENYL)-2-FORMYLPHENYL]ACET
IC ACID | | Formula: | C33 H33 N3 O6 | | SMILES: | O=C(O)Cc1ccc(cc1C=O)C=C(/NC(=O)C)C(=O)NC4C(=O)N(Cc3ccc(c2ccccc2)cc3)CCCC4 | | InChi: | InChI=1S/C33H33N3O6/c1-22(38)34-30(18-24-12-15-27(19-31(39)40)28(17-24)21-37)32(41)35-29-9-5-6-16-36(33(29)42)20-23-10-13-26(14-11-23)25-7-3-2-4-8-25/h2-4,7-8,10-15,17-18,21,29H,5-6,9,16,19-20H2,1H3,(H,34,38)(H,35,41)(H,39,40)/b30-18-/t29-/m0/s1 | | Synonyms: | RU82129 | | Definition date: | 2003-06-20 | | Last modified: | 2020-06-17 | | Identifier: | {4-[(1Z)-2-(acetylamino)-3-{[(3S)-1-(biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]amino}-3-oxoprop-1-en-1-yl]-2-formylphenyl}acetic acid |
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 | | HUI | | Name: | (2S)-2-methyl-3-oxidanyl-propanoic acid | | Formula: | C4 H8 O3 | | SMILES: | C[CH](CO)C(O)=O | | InChi: | InChI=1S/C4H8O3/c1-3(2-5)4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m0/s1 | | Synonyms: | (S)-3-hydroxyisobutyric acid | | Definition date: | 2017-08-29 | | Last modified: | 2020-06-17 | | Release date: | 2018-07-11 | | Identifier: | (2~{S})-2-methyl-3-oxidanyl-propanoic acid |
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 | | HUL | | Name: | 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4H-chromen-4-one | | Formula: | C16 H12 O6 | | SMILES: | O=C1c3c(O)c(OC)c(O)cc3OC(=C1)c2ccc(O)cc2 | | InChi: | InChI=1S/C16H12O6/c1-21-16-11(19)7-13-14(15(16)20)10(18)6-12(22-13)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3 | | Synonyms: | Hispidulin | | Definition date: | 2015-01-08 | | Last modified: | 2020-06-17 | | Release date: | 2015-08-26 | | Identifier: | 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4H-chromen-4-one |
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 | | 83A | | Name: | N-(4-{[2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)ethyl]amino}benzene-1-carbonyl)-L-glutamic acid | | Formula: | C20 H22 N6 O6 | | SMILES: | c31c(N=C(NC1=O)N)nc(CCNc2ccc(C(=O)NC(C(=O)O)CCC(O)=O)cc2)c3 | | InChi: | InChI=1S/C20H22N6O6/c21-20-25-16-13(18(30)26-20)9-12(23-16)7-8-22-11-3-1-10(2-4-11)17(29)24-14(19(31)32)5-6-15(27)28/h1-4,9,14,22H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,21,23,25,26,30)/t14-/m0/s1 | | Synonyms: | antifolate AGF183 | | Definition date: | 2016-03-28 | | Last modified: | 2020-06-17 | | Release date: | 2016-08-10 | | Identifier: | N-(4-{[2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)ethyl]amino}benzene-1-carbonyl)-L-glutamic acid |
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 | | HVG | | Name: | 4-[(S)-amino(carboxy)methyl]benzene-1,2-dicarboxylic acid | | Formula: | C10 H9 N O6 | | SMILES: | C(=O)(O)c1ccc(cc1C(O)=O)C(C(O)=O)N | | InChi: | InChI=1S/C10H9NO6/c11-7(10(16)17)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3,7H,11H2,(H,12,13)(H,14,15)(H,16,17)/t7-/m0/s1 | | Synonyms: | (S)-3,4-Dicarboxyphenylglycine (DCPG) | | Definition date: | 2018-07-24 | | Last modified: | 2020-06-17 | | Release date: | 2018-11-07 | | Identifier: | 4-[(S)-amino(carboxy)methyl]benzene-1,2-dicarboxylic acid |
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 | | 846 | | Name: | [4R--(1ALPHA,5ALPHA,7BETA)]-3-[(CYCLOPROPHYLMETHYL)HEXAHYDRO-5,6-DIHYDROXY-2-OXO-4,7-BIS(PHENYLMETHYL)-1H-1,3-DIAZEPIN]
METHYL-2-THIAZOLYLBENZAMIDE | | Formula: | C34 H36 N4 O4 S | | SMILES: | O=C(c1cccc(c1)CN4C(=O)N(CC2CC2)C(Cc3ccccc3)C(O)C(O)C4Cc5ccccc5)Nc6nccs6 | | InChi: | InChI=1S/C34H36N4O4S/c39-30-28(19-23-8-3-1-4-9-23)37(21-25-14-15-25)34(42)38(29(31(30)40)20-24-10-5-2-6-11-24)22-26-12-7-13-27(18-26)32(41)36-33-35-16-17-43-33/h1-13,16-18,25,28-31,39-40H,14-15,19-22H2,(H,35,36,41)/t28-,29-,30+,31+/m1/s1 | | Synonyms: | INHIBITOR Q8467 OF DUPONT MERCK | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | 3-{[(4R,5S,6S,7R)-4,7-dibenzyl-3-(cyclopropylmethyl)-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl]methyl}-N-1,3-thiazol-2-ylbenzamide |
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 | | 847 | | Name: | 2-(3-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-5-BROMO-4-OXIDOPHENYL)SUCCINATE | | Formula: | C18 H13 Br N4 O5 | | SMILES: | [O-]C(=O)CC(C([O-])=O)c3cc(c2nc1cc(ccc1n2)C(=[NH2+])N)c([O-])c(Br)c3 | | InChi: | InChI=1S/C18H15BrN4O5/c19-11-4-8(9(18(27)28)6-14(24)25)3-10(15(11)26)17-22-12-2-1-7(16(20)21)5-13(12)23-17/h1-5,9,26H,6H2,(H3,20,21)(H,22,23)(H,24,25)(H,27,28)/p-2/t9-/m1/s1 | | Synonyms: | CRA_16847 | | Definition date: | 2003-03-14 | | Last modified: | 2020-06-17 | | Identifier: | (2R)-2-(3-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}-5-bromo-4-oxidophenyl)butanedioate |
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 | | HWD | | Name: | 2-AMINO-3-(2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID | | Formula: | C7 H9 N3 O4 | | SMILES: | O=C(O)C(N)CN1C=CC(=O)NC1=O | | InChi: | InChI=1S/C7H9N3O4/c8-4(6(12)13)3-10-2-1-5(11)9-7(10)14/h1-2,4H,3,8H2,(H,12,13)(H,9,11,14)/t4-/m0/s1 | | Synonyms: | WILLARDIINE | | Definition date: | 2002-09-20 | | Last modified: | 2020-06-17 | | Identifier: | 3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-L-alanine |
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 | | 85F | | Name: | (2R)-2-azanyl-3-[(2R)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]sulfanyl-propanoic acid | | Formula: | C6 H12 N2 O4 S | | SMILES: | N[CH](CSC[CH](N)C(O)=O)C(O)=O | | InChi: | InChI=1S/C6H12N2O4S/c7-3(5(9)10)1-13-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1 | | Synonyms: | L-Lanthionine | | Definition date: | 2017-04-20 | | Last modified: | 2020-06-17 | | Release date: | 2018-04-11 | | Identifier: | (2~{R})-2-azanyl-3-[(2~{R})-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]sulfanyl-propanoic acid |
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 | | HXL | | Name: | 2-(4-(4-CARBAMIMIDOYLPHENOXY)PHENYL)-1H-BENZO[D]IMIDAZOLE-6-CARBOXIMIDAMIDE | | Formula: | C21 H18 N6 O | | SMILES: | [N@H]=C(N)c4ccc(Oc3ccc(c2nc1cc(ccc1n2)C(=[N@H])N)cc3)cc4 | | InChi: | InChI=1S/C21H18N6O/c22-19(23)12-1-6-15(7-2-12)28-16-8-3-13(4-9-16)21-26-17-10-5-14(20(24)25)11-18(17)27-21/h1-11H,(H3,22,23)(H3,24,25)(H,26,27) | | Synonyms: | 2-(4-{4-[AMINO(IMINO)METHYL]PHENOXY}PHENYL)-1H-BENZIMIDAZOLE-5-CARBOXIMIDAMIDE | | Definition date: | 2006-01-11 | | Last modified: | 2020-06-17 | | Identifier: | 2-[4-(4-carbamimidoylphenoxy)phenyl]-1H-benzimidazole-5-carboximidamide |
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 | | HXX | | Name: | 3,6-dichloro-2-hydroxybenzoic acid | | Formula: | C7 H4 Cl2 O3 | | SMILES: | Clc1ccc(Cl)c(C(=O)O)c1O | | InChi: | InChI=1S/C7H4Cl2O3/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2,10H,(H,11,12) | | Synonyms: | 3,6 dichlorosalicylic acid | | Definition date: | 2009-03-13 | | Last modified: | 2020-06-17 | | Identifier: | 3,6-dichloro-2-hydroxybenzoic acid |
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 | | 86B | | Name: | 4-{(2S)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}benzene-1-sulfonamide | | Formula: | C12 H20 N2 O4 S | | SMILES: | c1(S(=O)(=O)N)ccc(cc1)OCC(CNC(C)C)O | | InChi: | InChI=1S/C12H20N2O4S/c1-9(2)14-7-10(15)8-18-11-3-5-12(6-4-11)19(13,16)17/h3-6,9-10,14-15H,7-8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1 | | Synonyms: | aryloxy-2-hydroxypropylammine sulfonamide | | Definition date: | 2017-08-02 | | Last modified: | 2020-06-17 | | Release date: | 2018-08-01 | | Identifier: | 4-{(2S)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}benzene-1-sulfonamide |
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 | | HY0 | | Name: | HYGROMYCIN B VARIANT | | Formula: | C20 H37 N3 O13 | | SMILES: | O1C4C(OC12OC(C(O)C(O)C2O)C(N)CO)C(O)C(OC4OC3C(O)C(N)CC(NC)C3O)CO | | InChi: | InChI=1S/C20H37N3O13/c1-23-7-2-5(21)9(26)15(10(7)27)33-19-17-16(11(28)8(4-25)32-19)35-20(36-17)18(31)13(30)12(29)14(34-20)6(22)3-24/h5-19,23-31H,2-4,21-22H2,1H3/t5-,6+,7+,8-,9+,10-,11+,12-,13+,14-,15-,16+,17+,18-,19+,20-/m1/s1 | | Synonyms: | (2R,3'R,3aS,4S,4'S,5'R,6R,6'R,7S,7aS)-4-[(1R,2S,3R,5S,6R)-3-azanyl-2,6-dihydroxy-5-(methylamino)cyclohexyl]oxy-6'-[(1S)
-1-azanyl-2-hydroxy-ethyl]-6-(hydroxymethyl)spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,2'-oxane]-3',4',5',
7-tetrol | | Definition date: | 2010-11-08 | | Last modified: | 2020-06-17 | | Identifier: | (2R,3'R,3aS,4S,4'S,5'R,6R,6'R,7S,7aS)-4-{[(1R,2S,3R,5S,6R)-3-amino-2,6-dihydroxy-5-(methylamino)cyclohexyl]oxy}-6'-[(1S)-1-amino-2-hydroxyethyl]-6-(hydroxymethyl)octahydro-4H-spiro[1,3-dioxolo[4,5-c]pyran-2,2'-pyran]-3',4',5',7-tetrol (non-preferred name) |
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 | | HYC | | Name: | O5'-[9-(3,17B-DIHYDROXY-1,3,5(10)-ESTRATRIEN-16B-YL)-NONANOYL]ADENOSINE | | Formula: | C37 H51 N5 O7 | | SMILES: | O=C(OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)CCCCCCCCC6CC5C7CCc4cc(O)ccc4C7CCC5(C)C6O | | InChi: | InChI=1S/C37H51N5O7/c1-37-15-14-25-24-13-11-23(43)16-21(24)10-12-26(25)27(37)17-22(33(37)47)8-6-4-2-3-5-7-9-29(44)48-18-28-31(45)32(46)36(49-28)42-20-41-30-34(38)39-19-40-35(30)42/h11,13,16,19-20,22,25-28,31-33,36,43,45-47H,2-10,12,14-15,17-18H2,1H3,(H2,38,39,40)/t22-,25+,26+,27-,28+,31+,32+,33-,36+,37-/m0/s1 | | Synonyms: | EM-1745 | | Definition date: | 2001-03-07 | | Last modified: | 2020-06-17 | | Identifier: | 5'-O-{9-[(9beta,13alpha,14beta,16alpha,17alpha)-3,17-dihydroxyestra-1,3,5(10)-trien-16-yl]nonanoyl}adenosine |
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 | | HYN | | Name: | imidazolidine-2,4-dione | | Formula: | C3 H4 N2 O2 | | SMILES: | O=C1NC(=O)NC1 | | InChi: | InChI=1S/C3H4N2O2/c6-2-1-4-3(7)5-2/h1H2,(H2,4,5,6,7) | | Synonyms: | Hydantoin | | Definition date: | 2008-03-21 | | Last modified: | 2020-06-17 | | Identifier: | imidazolidine-2,4-dione |
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 | | 876 | | Name: | N-ACETYL-N-[1-(1,1'-BIPHENYL-4-YLMETHYL)-2-OXOAZEPAN-3-YL]-3,4-DIPHOSPHONOPHENYLALANINAMIDE | | Formula: | C30 H35 N3 O9 P2 | | SMILES: | O=P(O)(O)c1ccc(cc1P(=O)(O)O)CC(NC(=O)C)C(=O)NC4C(=O)N(Cc3ccc(c2ccccc2)cc3)CCCC4 | | InChi: | InChI=1S/C30H35N3O9P2/c1-20(34)31-26(17-22-12-15-27(43(37,38)39)28(18-22)44(40,41)42)29(35)32-25-9-5-6-16-33(30(25)36)19-21-10-13-24(14-11-21)23-7-3-2-4-8-23/h2-4,7-8,10-15,18,25-26H,5-6,9,16-17,19H2,1H3,(H,31,34)(H,32,35)(H2,37,38,39)(H2,40,41,42)/t25-,26-/m0/s1 | | Synonyms: | RU83876 | | Definition date: | 2003-06-20 | | Last modified: | 2020-06-17 | | Identifier: | Nalpha-acetyl-N-[(3S)-1-(biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]-3,4-diphosphono-L-phenylalaninamide |
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 | | 878 | | Name: | 5-IODO-2-(OXALYL-AMINO)-BENZOIC ACID | | Formula: | C9 H6 I N O5 | | SMILES: | Ic1cc(c(NC(=O)C(=O)O)cc1)C(=O)O | | InChi: | InChI=1S/C9H6INO5/c10-4-1-2-6(5(3-4)8(13)14)11-7(12)9(15)16/h1-3H,(H,11,12)(H,13,14)(H,15,16) | | Synonyms: | NOVO NORDISK A/S COMPOUND | | Definition date: | 2000-02-02 | | Last modified: | 2020-06-17 | | Identifier: | 2-[(carboxycarbonyl)amino]-5-iodobenzoic acid |
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 | | HZH | | Name: | 1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-2-one | | Formula: | C11 H11 F3 O S | | SMILES: | FC(F)(F)C(=O)CSCCc1ccccc1 | | InChi: | InChI=1S/C11H11F3OS/c12-11(13,14)10(15)8-16-7-6-9-4-2-1-3-5-9/h1-5H,6-8H2 | | Synonyms: | 3-phenethylthio-1,1,1-trifluoropropan-2-one, PETFP | | Definition date: | 2008-06-11 | | Last modified: | 2020-06-17 | | Identifier: | 1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-2-one |
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