 | | FRL | | Name: | 1-((1R,2S)-1-{2-[2-(4-CHLOROPHENYL)-1,3-BENZOXAZOL-7-YL]ETHYL}-2-HYDROXYPROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE | | Formula: | C22 H21 Cl N4 O3 | | SMILES: | O=C(N)c1ncn(c1)C(C(O)C)CCc2cccc3nc(oc23)c4ccc(Cl)cc4 | | InChi: | InChI=1S/C22H21ClN4O3/c1-13(28)19(27-11-18(21(24)29)25-12-27)10-7-14-3-2-4-17-20(14)30-22(26-17)15-5-8-16(23)9-6-15/h2-6,8-9,11-13,19,28H,7,10H2,1H3,(H2,24,29)/t13-,19-/m0/s1 | | Synonyms: | FR266364 | | Definition date: | 2005-02-07 | | Last modified: | 2021-03-01 | | Identifier: | 1-[(1S,2S)-1-{2-[2-(4-chlorophenyl)-1,3-benzoxazol-7-yl]ethyl}-2-hydroxypropyl]-1H-imidazole-4-carboxamide |
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 | | 7NA | | Name: | 2-hydroxy-7-methoxy-5-methyl naphthoic acid | | Formula: | C13 H12 O4 | | SMILES: | O=C(O)c1c2c(ccc1O)c(cc(OC)c2)C | | InChi: | InChI=1S/C13H12O4/c1-7-5-8(17-2)6-10-9(7)3-4-11(14)12(10)13(15)16/h3-6,14H,1-2H3,(H,15,16) | | Synonyms: | 2-hydroxy-7-methoxy-5-methylnaphthalene-1-carboxylic acid | | Definition date: | 2009-07-10 | | Last modified: | 2021-03-01 | | Identifier: | 2-hydroxy-7-methoxy-5-methylnaphthalene-1-carboxylic acid |
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 | | FSJ | | Name: | (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(fluoromethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside | | Formula: | C19 H35 F N4 O7 | | SMILES: | C1(OC(=CCC1N)CF)OC2C(CC(C(C2O)OC3OCC(C(C3O)NC)(C)O)N)N | | InChi: | InChI=1S/C19H35FN4O7/c1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17/h3,9-18,24-27H,4-7,21-23H2,1-2H3/t9-,10+,11-,12+,13-,14-,15+,16-,17-,18-,19+/m1/s1 | | Synonyms: | 6'-fluoro sisomicin | | Definition date: | 2018-01-04 | | Last modified: | 2021-03-01 | | Release date: | 2018-05-30 | | Identifier: | (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(fluoromethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside |
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 | | FST | | Name: | O,O-diethyl O-{4-[(R)-methylsulfinyl]phenyl} phosphorothioate | | Formula: | C11 H17 O4 P S2 | | SMILES: | O=S(c1ccc(OP(=S)(OCC)OCC)cc1)C | | InChi: | InChI=1S/C11H17O4PS2/c1-4-13-16(17,14-5-2)15-10-6-8-11(9-7-10)18(3)12/h6-9H,4-5H2,1-3H3/t18-/m1/s1 | | Synonyms: | Fensulfothion | | Definition date: | 2011-11-15 | | Last modified: | 2021-03-01 | | Release date: | 2012-09-28 | | Identifier: | O,O-diethyl O-{4-[(R)-methylsulfinyl]phenyl} phosphorothioate |
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 | | FTE | | Name: | phenylisothiocyanate | | Formula: | C7 H5 N S | | SMILES: | S=C=Nc1ccccc1 | | InChi: | InChI=1S/C7H5NS/c9-6-8-7-4-2-1-3-5-7/h1-5H | | Synonyms: | isothiocyanatobenzene | | Definition date: | 2011-02-01 | | Last modified: | 2021-03-01 | | Identifier: | isothiocyanatobenzene |
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 | | FTG | | Name: | (2S,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-[(benzylamino)methyl]-N-[2-(4-hydroxyphenyl)ethyl]hexanamide | | Formula: | C31 H40 N8 O5 | | SMILES: | O=C(C(CCC(CC3OC(n1c2ncnc(c2nc1)N)C(C3O)O)CNCc4ccccc4)N)NCCc5ccc(cc5)O | | InChi: | InChI=1S/C31H40N8O5/c32-23(30(43)35-13-12-19-6-9-22(40)10-7-19)11-8-21(16-34-15-20-4-2-1-3-5-20)14-24-26(41)27(42)31(44-24)39-18-38-25-28(33)36-17-37-29(25)39/h1-7,9-10,17-18,21,23-24,26-27,31,34,40-42H,8,11-16,32H2,(H,35,43)(H2,33,36,37)/t21-,23-,24+,26+,27+,31+/m0/s1 | | Synonyms: | (S)-SKI-72 | | Definition date: | 2018-04-16 | | Last modified: | 2021-03-01 | | Release date: | 2018-05-23 | | Identifier: | (2S,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-[(benzylamino)methyl]-N-[2-(4-hydroxyphenyl)ethyl]hexanamide (non-preferred name) |
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 | | FTP | | Name: | 3-(4-AMINO-2-TRIFLUOROMETHYL-PYRIMIDIN-5-YLMETHYL)-4-METHYL-5-(2-PHOSPHONATOOXY-ETHYL)-THIAZOL-3-IUM | | Formula: | C12 H13 F3 N4 O4 P S | | SMILES: | FC(F)(F)c1nc(c(cn1)C[n+]2c(c(sc2)CCOP([O-])([O-])=O)C)N | | InChi: | InChI=1S/C12H14F3N4O4PS/c1-7-9(2-3-23-24(20,21)22)25-6-19(7)5-8-4-17-11(12(13,14)15)18-10(8)16/h4,6H,2-3,5H2,1H3,(H3-,16,17,18,20,21,22)/p-1 | | Synonyms: | TRIFLUORO-THIAMIN PHOSPHATE | | Definition date: | 2000-11-14 | | Last modified: | 2021-03-01 | | Identifier: | 2-(3-{[4-amino-2-(trifluoromethyl)pyrimidin-5-yl]methyl}-4-methyl-1,3-thiazol-3-ium-5-yl)ethyl phosphate |
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 | | FU9 | | Name: | 3-(cyclopropylamino)-5-{[3-(trifluoromethyl)phenyl]amino}pyrimido[4,5-c]quinoline-8-carboxylic acid | | Formula: | C22 H16 F3 N5 O2 | | SMILES: | FC(F)(F)c1cc(ccc1)Nc5nc2cc(C(=O)O)ccc2c3c5nc(nc3)NC4CC4 | | InChi: | InChI=1S/C22H16F3N5O2/c23-22(24,25)12-2-1-3-14(9-12)27-19-18-16(10-26-21(30-18)28-13-5-6-13)15-7-4-11(20(31)32)8-17(15)29-19/h1-4,7-10,13H,5-6H2,(H,27,29)(H,31,32)(H,26,28,30) | | Synonyms: | CX-5279 | | Definition date: | 2011-03-21 | | Last modified: | 2021-03-01 | | Identifier: | 3-(cyclopropylamino)-5-{[3-(trifluoromethyl)phenyl]amino}pyrimido[4,5-c]quinoline-8-carboxylic acid |
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 | | 7PD | | Name: | 2-aminopteridine-4,7(3H,8H)-dione | | Formula: | C6 H5 N5 O2 | | SMILES: | C2=NC=1C(=O)NC(=NC=1NC2=O)N | | InChi: | InChI=1S/C6H5N5O2/c7-6-10-4-3(5(13)11-6)8-1-2(12)9-4/h1H,(H4,7,9,10,11,12,13) | | Synonyms: | isoxanthopterin | | Definition date: | 2016-11-28 | | Last modified: | 2021-03-01 | | Release date: | 2020-12-16 | | Identifier: | 2-aminopteridine-4,7(3H,8H)-dione |
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 | | 7PE | | Name: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL | | Formula: | C14 H30 O7 | | SMILES: | O(CCOCC)CCOCCOCCOCCOCCO | | InChi: | InChI=1S/C14H30O7/c1-2-16-5-6-18-9-10-20-13-14-21-12-11-19-8-7-17-4-3-15/h15H,2-14H2,1H3 | | Synonyms: | POLYETHYLENE GLYCOL FRAGMENT | | Definition date: | 2005-12-28 | | Last modified: | 2021-03-01 | | Identifier: | 3,6,9,12,15,18-hexaoxaicosan-1-ol |
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 | | 7PH | | Name: | (1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoate | | Formula: | C29 H57 O8 P | | SMILES: | O=P(O)(OCC(OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC)O | | InChi: | InChI=1S/C29H57O8P/c1-3-5-7-9-11-13-14-16-18-20-22-24-29(31)37-27(26-36-38(32,33)34)25-35-28(30)23-21-19-17-15-12-10-8-6-4-2/h27H,3-26H2,1-2H3,(H2,32,33,34)/t27-/m1/s1 | | Synonyms: | PHOSPHATIDIC ACID | | Definition date: | 2008-04-28 | | Last modified: | 2021-03-01 | | Identifier: | (1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoate |
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 | | FUN | | Name: | 5-(AMINOSULFONYL)-4-CHLORO-2-[(2-FURYLMETHYL)AMINO]BENZOIC ACID | | Formula: | C12 H11 Cl N2 O5 S | | SMILES: | O=S(=O)(N)c1c(Cl)cc(c(C(=O)O)c1)NCc2occc2 | | InChi: | InChI=1S/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19) | | Synonyms: | Furosemide | | Definition date: | 2005-09-13 | | Last modified: | 2021-03-01 | | Identifier: | 4-chloro-2-[(furan-2-ylmethyl)amino]-5-sulfamoylbenzoic acid |
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 | | FUP | | Name: | 2',3'-DIDEOXY-3'-FLUORO-URIDIDINE-5'-DIPHOSPHATE | | Formula: | C9 H13 F N2 O10 P2 | | SMILES: | O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)CC2F | | InChi: | InChI=1S/C9H13FN2O10P2/c10-5-3-8(12-2-1-7(13)11-9(12)14)21-6(5)4-20-24(18,19)22-23(15,16)17/h1-2,5-6,8H,3-4H2,(H,18,19)(H,11,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1 | | Synonyms: | FUDP | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | 2',3'-dideoxy-3'-fluorouridine 5'-(trihydrogen diphosphate) |
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 | | FVX | | Name: | Fluvoxamine | | Formula: | C15 H21 F3 N2 O2 | | SMILES: | FC(F)(F)c1ccc(C(=NOCCN)CCCCOC)cc1 | | InChi: | InChI=1S/C15H21F3N2O2/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18/h5-8H,2-4,9-11,19H2,1H3/b20-14+ | | Synonyms: | 2-[({(1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene}amino)oxy]ethanamine | | Definition date: | 2012-04-23 | | Last modified: | 2021-03-01 | | Identifier: | 2-[({(1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene}amino)oxy]ethanamine |
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 | | 7S1 | | Name: | N-cyano-N'-[(1R)-1-phenylethyl]-N''-quinolin-5-ylguanidine | | Formula: | C19 H17 N5 | | SMILES: | C(NC#N)(NC(C)c1ccccc1)=Nc3c2cccnc2ccc3 | | InChi: | InChI=1S/C19H17N5/c1-14(15-7-3-2-4-8-15)23-19(22-13-20)24-18-11-5-10-17-16(18)9-6-12-21-17/h2-12,14H,1H3,(H2,22,23,24)/t14-/m1/s1 | | Synonyms: | antagonist A804598 | | Definition date: | 2016-12-02 | | Last modified: | 2021-03-01 | | Release date: | 2017-01-04 | | Identifier: | N-cyano-N'-[(1R)-1-phenylethyl]-N''-quinolin-5-ylguanidine |
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 | | 7S4 | | Name: | N-{(1R)-1-[N''-cyano-N'-(quinolin-5-yl)carbamimidamido]-2,2-dimethylpropyl}-2-(3,4-dimethoxyphenyl)acetamide | | Formula: | C26 H30 N6 O3 | | SMILES: | c1(cc(c(OC)cc1)OC)CC(NC(C(C)(C)C)NC(=N/C#N)Nc2cccc3c2cccn3)=O | | InChi: | InChI=1S/C26H30N6O3/c1-26(2,3)24(31-23(33)15-17-11-12-21(34-4)22(14-17)35-5)32-25(29-16-27)30-20-10-6-9-19-18(20)8-7-13-28-19/h6-14,24H,15H2,1-5H3,(H,31,33)(H2,29,30,32)/t24-/m0/s1 | | Synonyms: | antagonist A740003 | | Definition date: | 2016-12-02 | | Last modified: | 2021-03-01 | | Release date: | 2017-01-11 | | Identifier: | N-{(1R)-1-[N''-cyano-N'-(quinolin-5-yl)carbamimidamido]-2,2-dimethylpropyl}-2-(3,4-dimethoxyphenyl)acetamide |
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 | | FXV | | Name: | METHYL-3-(4'-N-OXOPYRIDYLPHENOYL)-3-METHYL-2-(M-AMIDINOBENZYL)-PROPIONATE | | Formula: | C25 H27 N4 O4 | | SMILES: | O=C(OC)C(Cc1cc(C(=[NH2+])N)ccc1)C(NC(=O)c3ccc(c2cc[n+]([O-])cc2)cc3)C | | InChi: | InChI=1S/C25H26N4O4/c1-16(22(25(31)33-2)15-17-4-3-5-21(14-17)23(26)27)28-24(30)20-8-6-18(7-9-20)19-10-12-29(32)13-11-19/h3-14,16,22H,15H2,1-2H3,(H3,26,27)(H,28,30)/p+1/t16-,22-/m1/s1 | | Synonyms: | FXV673 | | Definition date: | 2002-01-31 | | Last modified: | 2021-03-01 | | Identifier: | amino{3-[(2R,3R)-2-(methoxycarbonyl)-3-({[4-(1-oxidopyridin-4-yl)phenyl]carbonyl}amino)butyl]phenyl}methaniminium |
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 | | FYP | | Name: | ethyl 8-fluoro-5-methyl-6-oxo-5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate | | Formula: | C15 H14 F N3 O3 | | SMILES: | CCOC(c3c2CN(C(c1c(ccc(c1)F)n2cn3)=O)C)=O | | InChi: | InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3 | | Synonyms: | Flumazenil | | Definition date: | 2018-04-25 | | Last modified: | 2021-03-01 | | Release date: | 2018-06-27 | | Identifier: | ethyl 8-fluoro-5-methyl-6-oxo-5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate |
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 | | SYN | | Name: | ethenylbenzene | | Formula: | C8 H8 | | SMILES: | C=Cc1ccccc1 | | InChi: | InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2 | | Synonyms: | styrene | | Definition date: | 2012-10-15 | | Last modified: | 2021-03-01 | | Release date: | 2013-05-01 | | Identifier: | ethenylbenzene |
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 | | 7VJ | | Name: | 2-amino-6-(methylamino)-5-nitrosopyrimidin-4(3H)-one | | Formula: | C5 H7 N5 O2 | | SMILES: | N(=O)C1=C(N=C(N)NC1=O)NC | | InChi: | InChI=1S/C5H7N5O2/c1-7-3-2(10-12)4(11)9-5(6)8-3/h1H3,(H4,6,7,8,9,11) | | Synonyms: | 6-METHYLAMINO-5-NITROSOISOCYTOSINE | | Definition date: | 2016-12-08 | | Last modified: | 2021-03-01 | | Release date: | 2017-12-06 | | Identifier: | 2-amino-6-(methylamino)-5-nitrosopyrimidin-4(3H)-one |
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 | | 7WB | | Name: | (2Z)-2-indol-3-ylidene-3H-1,3-thiazole | | Formula: | C11 H8 N2 S1 | | SMILES: | N1C=CSC1=C2C=Nc3ccccc23 | | InChi: | InChI=1S/C11H8N2S/c1-2-4-10-8(3-1)9(7-13-10)11-12-5-6-14-11/h1-7,12H/b11-9+ | | Synonyms: | Camalexin | | Definition date: | 2015-06-15 | | Last modified: | 2021-03-01 | | Release date: | 2016-06-29 | | Identifier: | (2Z)-2-indol-3-ylidene-3H-1,3-thiazole |
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 | | T22 | | Name: | 2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl}methyl)benzonitrile | | Formula: | C18 H21 N5 O2 | | SMILES: | N#Cc1ccccc1CN2C(=O)N(C(=O)C=C2N3CCCC(N)C3)C | | InChi: | InChI=1S/C18H21N5O2/c1-21-17(24)9-16(22-8-4-7-15(20)12-22)23(18(21)25)11-14-6-3-2-5-13(14)10-19/h2-3,5-6,9,15H,4,7-8,11-12,20H2,1H3/t15-/m1/s1 | | Synonyms: | Alogliptin | | Definition date: | 2009-02-03 | | Last modified: | 2021-03-01 | | Identifier: | 2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl}methyl)benzonitrile |
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 | | 4TD | | Name: | (2S)-1-[3-[(2S)-2-oxidanylpropoxy]-2-[[(2S)-2-oxidanylpropoxy]methyl]-2-[[(2R)-2-oxidanylpropoxy]methyl]propoxy]propan-2-ol | | Formula: | C17 H36 O8 | | SMILES: | O(CC(O)C)CC(COCC(O)C)(COCC(O)C)COCC(O)C | | InChi: | InChI=1S/C17H36O8/c1-13(18)5-22-9-17(10-23-6-14(2)19,11-24-7-15(3)20)12-25-8-16(4)21/h13-16,18-21H,5-12H2,1-4H3/t13-,14-,15-,16+/m0/s1 | | Synonyms: | tetraerythritol propoxylate | | Definition date: | 2014-01-08 | | Last modified: | 2021-03-01 | | Release date: | 2014-04-09 | | Identifier: | (2S)-1-[3-{[(2R)-2-hydroxypropyl]oxy}-2,2-bis({[(2S)-2-hydroxypropyl]oxy}methyl)propoxy]propan-2-ol (non-preferred name) |
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 | | T5C | | Name: | 2-{(1E,3Z,5E,7E)-7-[3,3-DIMETHYL-5-SULFO-1-(2-SULFOETHYL)-1,3-DIHYDRO-2H-INDOL-2-YLIDENE]-4-METHYLHEPTA-1,3,5-TRIEN-1-YL}-3,3-DIMETHYL-5-SULFO-1-(2-SULFOETHYL)-3H-INDOLIUM | | Formula: | C32 H39 N2 O12 S4 | | SMILES: | O=S(=O)(O)CC[N+]=2c1ccc(cc1C(C=2C=CC=C(C=CC=C4N(c3ccc(cc3C4(C)C)S(=O)(=O)O)CCS(=O)(=O)O)C)(C)C)S(=O)(=O)O | | InChi: | InChI=1S/C32H38N2O12S4/c1-22(8-6-10-29-31(2,3)25-20-23(49(41,42)43)12-14-27(25)33(29)16-18-47(35,36)37)9-7-11-30-32(4,5)26-21-24(50(44,45)46)13-15-28(26)34(30)17-19-48(38,39)40/h6-15,20-21H,16-19H2,1-5H3,(H3-,35,36,37,38,39,40,41,42,43,44,45,46)/p+1 | | Synonyms: | TETRASULFOCYANINE | | Definition date: | 2006-12-03 | | Last modified: | 2021-03-01 | | Identifier: | 2-{(1E,3E,5E,7E)-7-[3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)-1,3-dihydro-2H-indol-2-ylidene]-4-methylhepta-1,3,5-trien-1-yl}-3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)-3H-indolium |
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 | | T5F | | Name: | (2~{S})-2-[[(2~{S})-1-(1-adamantylamino)-3-cyclohexyl-1-oxidanylidene-propan-2-yl]sulfamoylamino]-6-azanyl-hexanoic acid | | Formula: | C25 H44 N4 O5 S | | SMILES: | NCCCC[CH](N[S](=O)(=O)N[CH](CC1CCCCC1)C(=O)NC23CC4CC(CC(C4)C2)C3)C(O)=O | | InChi: | InChI=1S/C25H44N4O5S/c26-9-5-4-8-21(24(31)32)28-35(33,34)29-22(13-17-6-2-1-3-7-17)23(30)27-25-14-18-10-19(15-25)12-20(11-18)16-25/h17-22,28-29H,1-16,26H2,(H,27,30)(H,31,32)/t18-,19+,20-,21-,22-,25-/m0/s1 | | Synonyms: | tafCPB | | Definition date: | 2016-09-28 | | Last modified: | 2021-03-01 | | Release date: | 2016-10-26 | | Identifier: | (2~{S})-2-[[(2~{S})-1-(1-adamantylamino)-3-cyclohexyl-1-oxidanylidene-propan-2-yl]sulfamoylamino]-6-azanyl-hexanoic acid |
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