 | | HNQ | | Name: | 5-nitroquinolin-8-ol | | Formula: | C9 H6 N2 O3 | | SMILES: | [O-][N+](=O)c1ccc(O)c2ncccc12 | | InChi: | InChI=1S/C9H6N2O3/c12-8-4-3-7(11(13)14)6-2-1-5-10-9(6)8/h1-5,12H | | Synonyms: | NITROXOLINE | | Definition date: | 2010-05-26 | | Last modified: | 2020-06-17 | | Identifier: | 5-nitroquinolin-8-ol |
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 | | HQI | | Name: | N-(8-hydroxyquinolin-5-yl)acetamide | | Formula: | C11 H10 N2 O2 | | SMILES: | CC(=O)Nc1ccc(O)c2ncccc12 | | InChi: | InChI=1S/C11H10N2O2/c1-7(14)13-9-4-5-10(15)11-8(9)3-2-6-12-11/h2-6,15H,1H3,(H,13,14) | | Synonyms: | 8-hydroxyquinoline | | Definition date: | 2010-01-19 | | Last modified: | 2020-06-17 | | Identifier: | N-(8-hydroxyquinolin-5-yl)ethanamide |
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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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 | | FLV | | Name: | FLAVIOLIN | | Formula: | C10 H6 O5 | | SMILES: | O=C2c1c(O)cc(O)cc1C(=O)C(O)=C2 | | InChi: | InChI=1S/C10H6O5/c11-4-1-5-9(6(12)2-4)7(13)3-8(14)10(5)15/h1-3,11-12,14H | | Synonyms: | 2,5,7-TRIHYDROXYNAPHTHOQUINONE | | Definition date: | 2004-06-14 | | Last modified: | 2020-06-17 | | Identifier: | 2,5,7-trihydroxynaphthalene-1,4-dione |
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 | | FO1 | | Name: | 1-deoxy-1-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-D-ribitol | | Formula: | C16 H17 N3 O7 | | SMILES: | O=C1C=3C(=NC(=O)N1)N(c2c(ccc(O)c2)C=3)CC(O)C(O)C(O)CO | | InChi: | InChI=1S/C16H17N3O7/c20-6-12(23)13(24)11(22)5-19-10-4-8(21)2-1-7(10)3-9-14(19)17-16(26)18-15(9)25/h1-4,11-13,20-24H,5-6H2,(H,18,25,26)/t11-,12+,13-/m0/s1 | | Synonyms: | 7,8-didemethyl-8-hydroxy-5-deazariboflavin | | Definition date: | 2008-02-01 | | Last modified: | 2020-06-17 | | Identifier: | 1-deoxy-1-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-D-ribitol |
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 | | FON | | Name: | N-{[4-({[(6R)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-glutamic acid | | Formula: | C20 H23 N7 O7 | | SMILES: | O=C(O)C(NC(=O)c1ccc(cc1)NCC3N(C2=C(NC(=NC2=O)N)NC3)C=O)CCC(=O)O | | InChi: | InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/t12-,13+/m1/s1 | | Synonyms: | [6R]-5-FORMYL-5,6,7,8-TETRAHYDROFOLATE | | Definition date: | 1999-07-09 | | Last modified: | 2020-06-17 | | Identifier: | N-{[4-({[(6R)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-glutamic acid |
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 | | FTS | | Name: | (3R)-3-(FLUOROMETHYL)-N-(3,3,3-TRIFLUOROPROPYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE | | Formula: | C13 H16 F4 N2 O2 S | | SMILES: | c2c1CNC(CF)Cc1ccc2S(=O)(=O)NCCC(F)(F)F | | InChi: | InChI=1S/C13H16F4N2O2S/c14-7-11-5-9-1-2-12(6-10(9)8-18-11)22(20,21)19-4-3-13(15,16)17/h1-2,6,11,18-19H,3-5,7-8H2/t11-/m1/s1 | | Synonyms: | 3(R)-FLUOROMETHYL 7-TRIFLUOROPROPYLSULFONAMIDE 1,2,3,4-TETRAHYDROISOQUINOLINE | | Definition date: | 2006-03-03 | | Last modified: | 2020-06-17 | | Identifier: | (3R)-3-(fluoromethyl)-N-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide |
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 | | EWV | | Name: | Epiberberine | | Formula: | C20 H18 N O4 | | SMILES: | c2c5ccc1OCOc1c5c[n+]3CCc4c(c23)cc(c(c4)OC)OC | | InChi: | InChI=1S/C20H18NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1 | | Synonyms: | 8,9-dimethoxy-11,12-dihydro-2H-[1,3]dioxolo[4,5-h]isoquinolino[2,1-b]isoquinolin-13-ium | | Definition date: | 2018-02-08 | | Last modified: | 2020-06-17 | | Release date: | 2018-06-20 | | Identifier: | 8,9-dimethoxy-11,12-dihydro-2H-[1,3]dioxolo[4,5-h]isoquinolino[2,1-b]isoquinolin-13-ium |
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 | | F27 | | Name: | 6-[2-(3-biphenyl-4-ylpropanoyl)-1,3-oxazol-5-yl]pyridine-2-carboxylic acid | | Formula: | C24 H18 N2 O4 | | SMILES: | O=C(c1ncc(o1)c2nc(C(=O)O)ccc2)CCc4ccc(c3ccccc3)cc4 | | InChi: | InChI=1S/C24H18N2O4/c27-21(14-11-16-9-12-18(13-10-16)17-5-2-1-3-6-17)23-25-15-22(30-23)19-7-4-8-20(26-19)24(28)29/h1-10,12-13,15H,11,14H2,(H,28,29) | | Synonyms: | 6-(2-(3-(biphenyl-4-yl)propanoyl)oxazol-5-yl)picolinate | | Definition date: | 2009-10-20 | | Last modified: | 2020-06-17 | | Identifier: | 6-{2-[3-(biphenyl-4-yl)propanoyl]-1,3-oxazol-5-yl}pyridine-2-carboxylic acid |
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 | | F2C | | Name: | 6-[2-(7-phenylheptanoyl)-1,3-oxazol-5-yl]pyridine-2-carboxylic acid | | Formula: | C22 H22 N2 O4 | | SMILES: | O=C(c1ncc(o1)c2nc(C(=O)O)ccc2)CCCCCCc3ccccc3 | | InChi: | InChI=1S/C22H22N2O4/c25-19(14-7-2-1-4-9-16-10-5-3-6-11-16)21-23-15-20(28-21)17-12-8-13-18(24-17)22(26)27/h3,5-6,8,10-13,15H,1-2,4,7,9,14H2,(H,26,27) | | Synonyms: | 6-(2-(7-phenylheptanoyl)oxazol-5-yl)picolinate | | Definition date: | 2009-10-14 | | Last modified: | 2020-06-17 | | Identifier: | 6-[2-(7-phenylheptanoyl)-1,3-oxazol-5-yl]pyridine-2-carboxylic acid |
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 | | F3P | | Name: | (1S)-1-[(1S)-1-FLUOROETHYL]-1,5-DIMETHYLHEXYL TRIHYDROGEN DIPHOSPHATE | | Formula: | C10 H23 F O7 P2 | | SMILES: | O=P(OP(=O)(OC(C(F)C)(C)CCCC(C)C)O)(O)O | | InChi: | InChI=1S/C10H23FO7P2/c1-8(2)6-5-7-10(4,9(3)11)17-20(15,16)18-19(12,13)14/h8-9H,5-7H2,1-4H3,(H,15,16)(H2,12,13,14)/t9?,10-/m0/s1 | | Synonyms: | 2-FLUOROLINALYL DIPHOSPHATE | | Definition date: | 2007-01-24 | | Last modified: | 2020-06-17 | | Identifier: | (1S)-1-[(1S)-1-fluoroethyl]-1,5-dimethylhexyl trihydrogen diphosphate |
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 | | I1P | | Name: | 2-[4-(N-(3-DIMETHYLAMINOPROPYL)SULPHAMOYL)ANILINO]- | | Formula: | C21 H24 N8 O2 S | | SMILES: | O=S(=O)(NCCCN(C)C)c1ccc(cc1)Nc2nccc(n2)c3cnc4cccnn34 | | InChi: | InChI=1S/C21H24N8O2S/c1-28(2)14-4-12-25-32(30,31)17-8-6-16(7-9-17)26-21-22-13-10-18(27-21)19-15-23-20-5-3-11-24-29(19)20/h3,5-11,13,15,25H,4,12,14H2,1-2H3,(H,22,26,27) | | Synonyms: | N-[3-(DIMETHYLAMINO)PROPYL]-4-[(4-IMIDAZO[1,2-B]PYRIDAZIN-3-YL-2-PYRIMIDINYL)AMINO]BENZENESULFONAMIDE | | Definition date: | 2003-11-11 | | Last modified: | 2020-06-17 | | Identifier: | N-[3-(dimethylamino)propyl]-4-[(4-imidazo[1,2-b]pyridazin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide |
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 | | IC1 | | Name: | 3-[(2,4,6-TRIMETHOXY-PHENYL)-METHYLENE]-INDOLIN-2-ONE | | Formula: | C18 H17 N O4 | | SMILES: | O=C2C(c1ccccc1N2)=Cc3c(OC)cc(OC)cc3OC | | InChi: | InChI=1S/C18H17NO4/c1-21-11-8-16(22-2)14(17(9-11)23-3)10-13-12-6-4-5-7-15(12)19-18(13)20/h4-10H,1-3H3,(H,19,20)/b13-10+ | | Synonyms: | IC261 | | Definition date: | 2000-02-25 | | Last modified: | 2020-06-17 | | Identifier: | (3E)-3-[(2,4,6-trimethoxyphenyl)methylidene]-1,3-dihydro-2H-indol-2-one |
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 | | IDN | | Name: | (E)-N-METHYL-N-(1-METHYL-1H-INDOL-3-YLMETHYL)-3-(7-OXO-5,6,7,8-TETRAHYDRO-[1,8]NAPHTHYRIDIN-3-YL)-ACRYLAMIDE | | Formula: | C22 H22 N4 O2 | | SMILES: | O=C2Nc1ncc(cc1CC2)C=CC(=O)N(C)Cc4c3ccccc3n(c4)C | | InChi: | InChI=1S/C22H22N4O2/c1-25-13-17(18-5-3-4-6-19(18)25)14-26(2)21(28)10-7-15-11-16-8-9-20(27)24-22(16)23-12-15/h3-7,10-13H,8-9,14H2,1-2H3,(H,23,24,27)/b10-7+ | | Synonyms: | INDOLE NAPHTHYRIDINONE | | Definition date: | 2002-08-28 | | Last modified: | 2020-06-17 | | Identifier: | (2E)-N-methyl-N-[(1-methyl-1H-indol-3-yl)methyl]-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)prop-2-enamide |
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 | | 4JS | | Name: | N-(quinolin-3-yl)propanamide | | Formula: | C12 H12 N2 O | | SMILES: | n1c2ccccc2cc(c1)NC(CC)=O | | InChi: | InChI=1S/C12H12N2O/c1-2-12(15)14-10-7-9-5-3-4-6-11(9)13-8-10/h3-8H,2H2,1H3,(H,14,15) | | Synonyms: | N-(quinolin-3-yl)prop-2-enamide, bound form | | Definition date: | 2015-03-23 | | Last modified: | 2020-06-17 | | Release date: | 2015-08-12 | | Identifier: | N-(quinolin-3-yl)propanamide |
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 | | 4KL | | Name: | Xanthuric acid | | Formula: | C10 H7 N O4 | | SMILES: | Oc1cc(C(O)=O)nc2c1cccc2O | | InChi: | InChI=1S/C10H7NO4/c12-7-3-1-2-5-8(13)4-6(10(14)15)11-9(5)7/h1-4,12H,(H,11,13)(H,14,15) | | Synonyms: | Xanthurenate | | Definition date: | 2015-03-31 | | Last modified: | 2020-06-17 | | Release date: | 2015-11-18 | | Identifier: | 4,8-dihydroxyquinoline-2-carboxylic acid |
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 | | 4LU | | Name: | 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y
l)-D-ribitol | | Formula: | C22 H30 N4 O9 P | | SMILES: | c1c3c4c(c(c1C)C)C(C)(CC=[N+]4C2=C(NC(NC2=O)=O)N3CC(C(C(O)COP(O)(O)=O)O)O)C | | InChi: | InChI=1S/C22H29N4O9P/c1-10-7-12-16-15(11(10)2)22(3,4)5-6-25(16)17-19(23-21(31)24-20(17)30)26(12)8-13(27)18(29)14(28)9-35-36(32,33)34/h6-7,13-14,18,27-29H,5,8-9H2,1-4H3,(H3-,23,24,30,31,32,33,34)/p+1/t13-,14+,18-/m0/s1 | | Synonyms: | prenylated-FMN iminium form | | Definition date: | 2015-04-14 | | Last modified: | 2020-06-17 | | Release date: | 2015-06-17 | | Identifier: | 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-yl)-D-ribitol |
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 | | 4MJ | | Name: | 1-deoxy-5-O-phosphono-1-[(1S)-3,3,4,5-tetramethyl-9,11-dioxo-1-(phenylacetyl)-2,3,8,9,10,11-hexahydro-1H,7H-quinolino[1
,8-fg]pteridin-7-yl]-D-ribitol | | Formula: | C30 H37 N4 O10 P | | SMILES: | c2c5N(C=1NC(NC(C=1N3c5c(c(c2C)C)C(C)(CC3C(=O)Cc4ccccc4)C)=O)=O)CC(C(C(COP(O)(O)=O)O)O)O | | InChi: | InChI=1S/C30H37N4O10P/c1-15-10-18-24-23(16(15)2)30(3,4)12-19(20(35)11-17-8-6-5-7-9-17)34(24)25-27(31-29(40)32-28(25)39)33(18)13-21(36)26(38)22(37)14-44-45(41,42)43/h5-10,19,21-22,26,36-38H,11-14H2,1-4H3,(H2,41,42,43)(H2,31,32,39,40)/t19-,21-,22+,26-/m0/s1 | | Synonyms: | phenylpyruvate derived adduct to prenylated FMN cofactor | | Definition date: | 2015-04-16 | | Last modified: | 2020-06-17 | | Release date: | 2015-06-17 | | Identifier: | 1-deoxy-5-O-phosphono-1-[(1S)-3,3,4,5-tetramethyl-9,11-dioxo-1-(phenylacetyl)-2,3,8,9,10,11-hexahydro-1H,7H-quinolino[1,8-fg]pteridin-7-yl]-D-ribitol |
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 | | 4O6 | | Name: | (E)-2-(4-chlorophenyl)-N-{(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}ethenesulfonamide | | Formula: | C19 H24 Cl N3 O5 S | | SMILES: | O=C(N1CCOCC1)C(N3C(=O)C(NS(=O)(=O)C=Cc2ccc(Cl)cc2)CC3)C | | InChi: | InChI=1S/C19H24ClN3O5S/c1-14(18(24)22-9-11-28-12-10-22)23-8-6-17(19(23)25)21-29(26,27)13-7-15-2-4-16(20)5-3-15/h2-5,7,13-14,17,21H,6,8-12H2,1H3/b13-7+/t14-,17-/m0/s1 | | Synonyms: | GTC000406 | | Definition date: | 2015-02-13 | | Last modified: | 2020-06-17 | | Release date: | 2015-09-30 | | Identifier: | (E)-2-(4-chlorophenyl)-N-{(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl}ethenesulfonamide |
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 | | 4OP | | Name: | (2S,4S)-2-carboxy-4-hydroxy-1,1-dimethylpyrrolidinium | | Formula: | C7 H14 N O3 | | SMILES: | O=C(O)C1[N+](C)(C)CC(O)C1 | | InChi: | InChI=1S/C7H13NO3/c1-8(2)4-5(9)3-6(8)7(10)11/h5-6,9H,3-4H2,1-2H3/p+1/t5-,6-/m1/s1 | | Synonyms: | CIS-4OH-D-PROLINE BETAINE | | Definition date: | 2013-01-30 | | Last modified: | 2020-06-17 | | Release date: | 2013-02-08 | | Identifier: | (2R,4R)-2-carboxy-4-hydroxy-1,1-dimethylpyrrolidinium |
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 | | 4PT | | Name: | (2R)-3-{[(S)-{[(2S,3R,5S,6S)-2,6-DIHYDROXY-3,4,5-TRIS(PHOSPHONOOXY)CYCLOHEXYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-(1-HYDROXY
BUTOXY)PROPYL BUTYRATE | | Formula: | C17 H36 O22 P4 | | SMILES: | O=P(OC1C(OP(=O)(O)O)C(O)C(OP(=O)(O)OCC(OC(O)CCC)COC(=O)CCC)C(O)C1OP(=O)(O)O)(O)O | | InChi: | InChI=1S/C17H36O22P4/c1-3-5-10(18)33-7-9(35-11(19)6-4-2)8-34-43(31,32)39-14-12(20)15(36-40(22,23)24)17(38-42(28,29)30)16(13(14)21)37-41(25,26)27/h9,11-17,19-21H,3-8H2,1-2H3,(H,31,32)(H2,22,23,24)(H2,25,26,27)(H2,28,29,30)/t9-,11?,12+,13+,14-,15+,16-,17-/m1/s1 | | Synonyms: | DIC4-PHOSPHATIDYLINOSITOL(3,4,5)TRISPHOSPHATE | | Definition date: | 2004-06-21 | | Last modified: | 2020-06-17 | | Identifier: | (2R)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}-2-(1-hydroxybutoxy)propyl butanoate |
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 | | IMB | | Name: | [(ISOQUINOLIN-1-YLAMINO)-PHOSPHONO-METHYL]-PHOSPHONIC ACID | | Formula: | C10 H12 N2 O6 P2 | | SMILES: | O=P(O)(O)C(Nc2nccc1ccccc12)P(=O)(O)O | | InChi: | InChI=1S/C10H12N2O6P2/c13-19(14,15)10(20(16,17)18)12-9-8-4-2-1-3-7(8)5-6-11-9/h1-6,10H,(H,11,12)(H2,13,14,15)(H2,16,17,18) | | Synonyms: | (3-ISOQUINOLYLAMINE) METHYLENE-1,1-BISPHOSPHONATE | | Definition date: | 2004-04-20 | | Last modified: | 2020-06-17 | | Identifier: | [(isoquinolin-1-ylamino)methanediyl]bis(phosphonic acid) |
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 | | IQP | | Name: | 1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINE | | Formula: | C14 H17 N3 O2 S | | SMILES: | O=S(=O)(c2c1ccncc1ccc2)N3C(C)CNCC3 | | InChi: | InChI=1S/C14H17N3O2S/c1-11-9-16-7-8-17(11)20(18,19)14-4-2-3-12-10-15-6-5-13(12)14/h2-6,10-11,16H,7-9H2,1H3/t11-/m0/s1 | | Synonyms: | H-7 | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | 5-{[(2S)-2-methylpiperazin-1-yl]sulfonyl}isoquinoline |
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 | | IQS | | Name: | N-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDE | | Formula: | C12 H15 N3 O2 S | | SMILES: | O=S(=O)(c1cccc2c1ccnc2)NCCNC | | InChi: | InChI=1S/C12H15N3O2S/c1-13-7-8-15-18(16,17)12-4-2-3-10-9-14-6-5-11(10)12/h2-6,9,13,15H,7-8H2,1H3 | | Synonyms: | H-8 | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | N-[2-(methylamino)ethyl]isoquinoline-5-sulfonamide |
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 | | IRB | | Name: | (2Z,3E)-7'-bromo-3-(hydroxyimino)-2'-oxo-1,1',2',3-tetrahydro-2,3'-biindole-5-carboxylic acid | | Formula: | C17 H10 Br N3 O4 | | SMILES: | ON=C1C(Nc2ccc(cc12)C(O)=O)=C3C(=O)Nc4c(Br)cccc34 | | InChi: | InChI=1S/C17H10BrN3O4/c18-10-3-1-2-8-12(16(22)20-13(8)10)15-14(21-25)9-6-7(17(23)24)4-5-11(9)19-15/h1-6,19,25H,(H,20,22)(H,23,24)/b15-12-,21-14+ | | Synonyms: | Indirubin-3'-monoxime derivative, (2Z,3E)-7'-bromo-3-(hydroxyimino)-2'-oxo-[2,3'-biindolinylidene]-5-carboxylic acid | | Definition date: | 2009-12-01 | | Last modified: | 2020-06-17 | | Identifier: | (2Z,3E)-2-(7-bromo-2-oxo-1H-indol-3-ylidene)-3-hydroxyimino-1H-indole-5-carboxylic acid |
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