 | | NFL | | Name: | 2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACID | | Formula: | C13 H9 F3 N2 O2 | | SMILES: | FC(F)(F)c1cc(ccc1)Nc2ncccc2C(=O)O | | InChi: | InChI=1S/C13H9F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)18-11-10(12(19)20)5-2-6-17-11/h1-7H,(H,17,18)(H,19,20) | | Synonyms: | 2-[(3-TRIFLUOROMETHYL)PHENYL]AMINO-3-PYRIDINE-CARBOXYLIC ACID | | Definition date: | 2004-05-26 | | Last modified: | 2021-03-01 | | Identifier: | 2-{[3-(trifluoromethyl)phenyl]amino}pyridine-3-carboxylic acid |
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 | | K5Y | | Name: | salmeterol | | Formula: | C25 H37 N O4 | | SMILES: | c1c(cccc1)CCCCOCCCCCCNCC(O)c2cc(c(cc2)O)CO | | InChi: | InChI=1S/C25H37NO4/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2/t25-/m0/s1 | | Synonyms: | 2-(hydroxymethyl)-4-[(1R)-1-hydroxy-2-{[6-(4-phenylbutoxy)hexyl]amino}ethyl]phenol | | Definition date: | 2018-11-01 | | Last modified: | 2021-03-01 | | Release date: | 2018-11-14 | | Identifier: | 2-(hydroxymethyl)-4-[(1R)-1-hydroxy-2-{[6-(4-phenylbutoxy)hexyl]amino}ethyl]phenol |
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 | | 1BN | | Name: | 1-BENZYL-1H-IMIDAZOLE | | Formula: | C10 H10 N2 | | SMILES: | n1ccn(c1)Cc2ccccc2 | | InChi: | InChI=1S/C10H10N2/c1-2-4-10(5-3-1)8-12-7-6-11-9-12/h1-7,9H,8H2 | | Synonyms: | 1-BENZYLIMIDAZOLE | | Definition date: | 2005-08-01 | | Last modified: | 2021-03-01 | | Identifier: | 1-benzyl-1H-imidazole |
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 | | L0S | | Name: | methyl (R)-N-[(1E)-1-(diethylamino)ethylidene]-P-methylphosphonamidate | | Formula: | C8 H19 N2 O2 P | | SMILES: | COP(/N=C(/N(CC)CC)C)(=O)C | | InChi: | InChI=1S/C8H19N2O2P/c1-6-10(7-2)8(3)9-13(5,11)12-4/h6-7H2,1-5H3/b9-8+/t13-/m1/s1 | | Synonyms: | A-232 | | Definition date: | 2019-01-30 | | Last modified: | 2021-03-01 | | Release date: | 2020-07-01 | | Identifier: | methyl (R)-N-[(1E)-1-(diethylamino)ethylidene]-P-methylphosphonamidate |
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 | | NG3 | | Name: | 3'-amino-2',3'-dideoxyguanosine 5'-(tetrahydrogen triphosphate) | | Formula: | C10 H17 N6 O12 P3 | | SMILES: | C=2(N)Nc1n(cnc1C(N=2)=O)C3CC(N)C(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O3 | | InChi: | InChI=1S/C10H17N6O12P3/c11-4-1-6(16-3-13-7-8(16)14-10(12)15-9(7)17)26-5(4)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6H,1-2,11H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,12,14,15,17)/t4-,5+,6+/m0/s1 | | Synonyms: | 3'-amino-dGTP | | Definition date: | 2019-10-25 | | Last modified: | 2021-03-01 | | Release date: | 2020-03-18 | | Identifier: | 3'-amino-2',3'-dideoxyguanosine 5'-(tetrahydrogen triphosphate) |
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 | | SRO | | Name: | SEROTONIN | | Formula: | C10 H12 N2 O | | SMILES: | Oc1cc2c(cc1)ncc2CCN | | InChi: | InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2 | | Synonyms: | 3-(2-AMINOETHYL)-1H-INDOL-5-OL | | Definition date: | 2007-07-11 | | Last modified: | 2021-03-01 | | Identifier: | 3-(2-aminoethyl)-1H-indol-5-ol |
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 | | K6H | | Name: | (2S)-2-chloranyl-2-[(2R)-5-oxidanylidene-2H-furan-2-yl]ethanoic acid | | Formula: | C6 H5 Cl O4 | | SMILES: | O=C1OC(C=C1)C(Cl)C(=O)O | | InChi: | InChI=1S/C6H5ClO4/c7-5(6(9)10)3-1-2-4(8)11-3/h1-3,5H,(H,9,10)/t3-,5+/m1/s1 | | Synonyms: | 5-CHLOROMUCONOLACTONE | | Definition date: | 2013-02-20 | | Last modified: | 2021-03-01 | | Release date: | 2013-03-06 | | Identifier: | (2S)-chloro[(2R)-5-oxo-2,5-dihydrofuran-2-yl]ethanoic acid |
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 | | US2 | | Name: | 2'-deoxy-5-(methylsulfanyl)uridine 5'-(dihydrogen phosphate) | | Formula: | C10 H15 N2 O8 P S | | SMILES: | O=C1NC(=O)N(C=C1SC)C2OC(C(O)C2)COP(=O)(O)O | | InChi: | InChI=1S/C10H15N2O8PS/c1-22-7-3-12(10(15)11-9(7)14)8-2-5(13)6(20-8)4-19-21(16,17)18/h3,5-6,8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t5-,6+,8+/m0/s1 | | Synonyms: | 5-SMe-deoxyuridine-5'-phosphate | | Definition date: | 2009-06-10 | | Last modified: | 2021-03-01 | | Identifier: | 2'-deoxy-5-(methylsulfanyl)uridine 5'-(dihydrogen phosphate) |
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 | | US3 | | Name: | 1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-5-methyl-2-selanylpyrimidin-4(1H)-one | | Formula: | C10 H15 N2 O7 P Se | | SMILES: | O=P(O)(O)OCC2OC(N1C(=NC(=O)C(=C1)C)[SeH])CC2O | | InChi: | InChI=1S/C10H15N2O7PSe/c1-5-3-12(10(21)11-9(5)14)8-2-6(13)7(19-8)4-18-20(15,16)17/h3,6-8,13H,2,4H2,1H3,(H,11,14,21)(H2,15,16,17)/t6-,7+,8+/m0/s1 | | Synonyms: | 2-Se-Thymidine-5'-phosphate | | Definition date: | 2009-06-15 | | Last modified: | 2021-03-01 | | Identifier: | 1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-5-methyl-2-selanylpyrimidin-4(1H)-one |
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 | | UEP | | Name: | 6-ethyluridine 5'-phosphate | | Formula: | C11 H17 N2 O9 P | | SMILES: | O=C1NC(=O)N(C(=C1)CC)C2OC(C(O)C2O)COP(=O)(O)O | | InChi: | InChI=1S/C11H17N2O9P/c1-2-5-3-7(14)12-11(17)13(5)10-9(16)8(15)6(22-10)4-21-23(18,19)20/h3,6,8-10,15-16H,2,4H2,1H3,(H,12,14,17)(H2,18,19,20)/t6-,8-,9-,10-/m1/s1 | | Synonyms: | 6-ethyl-UMP | | Definition date: | 2008-10-23 | | Last modified: | 2021-03-01 | | Identifier: | 6-ethyluridine 5'-(dihydrogen phosphate) |
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 | | US5 | | Name: | 1-(5-O-phosphono-beta-D-ribofuranosyl)-4-selanylpyrimidin-2(1H)-one | | Formula: | C9 H13 N2 O8 P Se | | SMILES: | O=P(O)(O)OCC2OC(N1C(=O)N=C([SeH])C=C1)C(O)C2O | | InChi: | InChI=1S/C9H13N2O8PSe/c12-6-4(3-18-20(15,16)17)19-8(7(6)13)11-2-1-5(21)10-9(11)14/h1-2,4,6-8,12-13H,3H2,(H,10,14,21)(H2,15,16,17)/t4-,6-,7-,8-/m1/s1 | | Synonyms: | 4-Se-ribouridine-5'-phosphate | | Definition date: | 2009-07-17 | | Last modified: | 2021-03-01 | | Identifier: | 1-(5-O-phosphono-beta-D-ribofuranosyl)-4-selanylpyrimidin-2(1H)-one |
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 | | RXT | | Name: | (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile | | Formula: | C17 H18 N6 | | SMILES: | N#CCC(n1ncc(c1)c3ncnc2c3ccn2)C4CCCC4 | | InChi: | InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1 | | Synonyms: | Ruxolitinib | | Definition date: | 2014-07-31 | | Last modified: | 2021-03-01 | | Release date: | 2014-09-17 | | Identifier: | (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile |
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 | | NUT | | Name: | 4-({(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazin-2-one | | Formula: | C30 H30 Cl2 N4 O4 | | SMILES: | O=C5NCCN(C(=O)N3C(=NC(c1ccc(Cl)cc1)C3c2ccc(Cl)cc2)c4ccc(OC)cc4OC(C)C)C5 | | InChi: | InChI=1S/C30H30Cl2N4O4/c1-18(2)40-25-16-23(39-3)12-13-24(25)29-34-27(19-4-8-21(31)9-5-19)28(20-6-10-22(32)11-7-20)36(29)30(38)35-15-14-33-26(37)17-35/h4-13,16,18,27-28H,14-15,17H2,1-3H3,(H,33,37)/t27-,28+/m0/s1 | | Synonyms: | Nutlin 3a | | Definition date: | 2012-10-12 | | Last modified: | 2021-03-01 | | Release date: | 2013-04-24 | | Identifier: | 4-({(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazin-2-one |
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 | | SS1 | | Name: | 1-PHENYLETHANOL | | Formula: | C8 H10 O | | SMILES: | OC(c1ccccc1)C | | InChi: | InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-/m0/s1 | | Synonyms: | (1S)-1-PHENYL-ETHANOL | | Definition date: | 2003-09-30 | | Last modified: | 2021-03-01 | | Identifier: | (1S)-1-phenylethanol |
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 | | NUZ | | Name: | [4-(2-chloro-4-nitrophenyl)piperazin-1-yl](5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone | | Formula: | C21 H19 Cl N4 O4 | | SMILES: | [O-][N+](=O)c1ccc(c(Cl)c1)N4CCN(C(=O)c3c(onc3c2ccccc2)C)CC4 | | InChi: | InChI=1S/C21H19ClN4O4/c1-14-19(20(23-30-14)15-5-3-2-4-6-15)21(27)25-11-9-24(10-12-25)18-8-7-16(26(28)29)13-17(18)22/h2-8,13H,9-12H2,1H3 | | Synonyms: | nucleozin | | Definition date: | 2014-12-16 | | Last modified: | 2021-03-01 | | Release date: | 2015-12-16 | | Identifier: | [4-(2-chloro-4-nitrophenyl)piperazin-1-yl](5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone |
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 | | WM2 | | Name: | cyclohexanecarboxamide | | Formula: | C7 H13 N O | | SMILES: | O=C(N)C1CCCCC1 | | InChi: | InChI=1S/C7H13NO/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H2,8,9) | | Synonyms: | Hexahydrobenzamide | | Definition date: | 2013-10-16 | | Last modified: | 2021-03-01 | | Release date: | 2015-08-12 | | Identifier: | cyclohexanecarboxamide |
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 | | X2W | | Name: | N-ACETYL-L-GLUTAMYL 5-PHOSPHATE | | Formula: | C7 H12 N O8 P | | SMILES: | O=C(OP(=O)(O)O)CCC(C(=O)O)NC(=O)C | | InChi: | InChI=1S/C7H12NO8P/c1-4(9)8-5(7(11)12)2-3-6(10)16-17(13,14)15/h5H,2-3H2,1H3,(H,8,9)(H,11,12)(H2,13,14,15)/t5-/m0/s1 | | Synonyms: | N-ACETYL-5-OXO-5-(PHOSPHONOOXY)-L-NORVALINE | | Definition date: | 2010-01-18 | | Last modified: | 2021-03-01 | | Identifier: | N-acetyl-5-oxo-5-(phosphonooxy)-L-norvaline |
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 | | NGV | | Name: | METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11-TRIOXO-3,4,6,11-TETRAHYDROTETRACENE-1-CARBOXYLATE | | Formula: | C21 H14 O7 | | SMILES: | O=C1c4c(C(=O)c2c1cccc2O)c(O)c3c(C(=C(C)CC3=O)C(=O)OC)c4 | | InChi: | InChI=1S/C21H14O7/c1-8-6-13(23)16-10(14(8)21(27)28-2)7-11-17(20(16)26)19(25)15-9(18(11)24)4-3-5-12(15)22/h3-5,7,22,26H,6H2,1-2H3 | | Synonyms: | NOGALAVIKETONE | | Definition date: | 2004-03-09 | | Last modified: | 2021-03-01 | | Identifier: | methyl 5,7-dihydroxy-2-methyl-4,6,11-trioxo-3,4,6,11-tetrahydrotetracene-1-carboxylate |
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 | | GVA | | Name: | 5-{[AMINO(IMINO)METHYL]AMINO}PENTANOIC ACID | | Formula: | C6 H13 N3 O2 | | SMILES: | O=C(O)CCCCNC(=[N@H])N | | InChi: | InChI=1S/C6H13N3O2/c7-6(8)9-4-2-1-3-5(10)11/h1-4H2,(H,10,11)(H4,7,8,9) | | Synonyms: | 5-GUANIDINOVALERIC ACID | | Definition date: | 2006-10-12 | | Last modified: | 2021-03-01 | | Identifier: | 5-carbamimidamidopentanoic acid |
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 | | NVE | | Name: | diethyl ({4-[2-(11-ethyl-5-methyl-6-oxo-6,11-dihydro-5H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-8-yl)ethyl]phenoxy}methyl)phosphonate | | Formula: | C27 H33 N4 O5 P | | SMILES: | O=P(OCC)(OCC)COc1ccc(cc1)CCc4cnc3N(c2ncccc2N(C(=O)c3c4)C)CC | | InChi: | InChI=1S/C27H33N4O5P/c1-5-31-25-23(27(32)30(4)24-9-8-16-28-26(24)31)17-21(18-29-25)11-10-20-12-14-22(15-13-20)34-19-37(33,35-6-2)36-7-3/h8-9,12-18H,5-7,10-11,19H2,1-4H3 | | Synonyms: | nevirapine phosphonate analogue | | Definition date: | 2012-12-03 | | Last modified: | 2021-03-01 | | Release date: | 2013-02-15 | | Identifier: | diethyl ({4-[2-(11-ethyl-5-methyl-6-oxo-6,11-dihydro-5H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-8-yl)ethyl]phenoxy}methyl)phosphonate |
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 | | XIY | | Name: | 2-HYDROXYMETHYL-BENZOIMIDAZOLE | | Formula: | C8 H8 N2 O | | SMILES: | OCc2nc1ccccc1n2 | | InChi: | InChI=1S/C8H8N2O/c11-5-8-9-6-3-1-2-4-7(6)10-8/h1-4,11H,5H2,(H,9,10) | | Synonyms: | 1H-BENZIMIDAZOL-2-YLMETHANOL | | Definition date: | 2010-07-01 | | Last modified: | 2021-03-01 | | Identifier: | 1H-benzimidazol-2-ylmethanol |
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 | | XIZ | | Name: | (E)-PYRIDIN-4-YL-ACRYLIC ACID | | Formula: | C8 H7 N O2 | | SMILES: | O=C(O)C=Cc1ccncc1 | | InChi: | InChI=1S/C8H7NO2/c10-8(11)2-1-7-3-5-9-6-4-7/h1-6H,(H,10,11)/b2-1+ | | Synonyms: | (2E)-3-PYRIDIN-4-YLPROP-2-ENOIC ACID | | Definition date: | 2010-07-01 | | Last modified: | 2021-03-01 | | Identifier: | (2E)-3-pyridin-4-ylprop-2-enoic acid |
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 | | UT0 | | Name: | 1-[4-ethoxy-3-[(1-methylsulfonylindol-6-yl)amino]phenyl]ethanone | | Formula: | C19 H20 N2 O4 S | | SMILES: | CCOc1ccc(cc1Nc2ccc3ccn(c3c2)[S](C)(=O)=O)C(C)=O | | InChi: | InChI=1S/C19H20N2O4S/c1-4-25-19-8-6-15(13(2)22)11-17(19)20-16-7-5-14-9-10-21(18(14)12-16)26(3,23)24/h5-12,20H,4H2,1-3H3 | | Synonyms: | UT07C | | Definition date: | 2016-12-09 | | Last modified: | 2021-03-01 | | Release date: | 2017-12-20 | | Identifier: | 1-[4-ethoxy-3-[(1-methylsulfonylindol-6-yl)amino]phenyl]ethanone |
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 | | N2H | | Name: | (4-azanylbutylamino)methanediol | | Formula: | C5 H14 N2 O2 | | SMILES: | NCCCCNC(O)O | | InChi: | InChI=1S/C5H14N2O2/c6-3-1-2-4-7-5(8)9/h5,7-9H,1-4,6H2 | | Synonyms: | N-(dihydroxymethyl)putrescine | | Definition date: | 2015-12-31 | | Last modified: | 2021-03-01 | | Release date: | 2016-04-20 | | Identifier: | (4-azanylbutylamino)methanediol |
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 | | YIN | | Name: | (6R,7S)-6,7-bis(4-bromophenyl)-7,11-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine | | Formula: | C24 H16 Br2 N4 O | | SMILES: | Brc1ccc(cc1)C2N6N=CNC6=NC4=C2C(Oc3ccccc34)c5ccc(Br)cc5 | | InChi: | InChI=1S/C24H16Br2N4O/c25-16-9-5-14(6-10-16)22-20-21(29-24-27-13-28-30(22)24)18-3-1-2-4-19(18)31-23(20)15-7-11-17(26)12-8-15/h1-13,22-23H,(H,27,28,29)/t22-,23+/m0/s1 | | Synonyms: | chromenotriazolopyrimidine 1 | | Definition date: | 2009-09-25 | | Last modified: | 2021-03-01 | | Identifier: | (6R,7S)-6,7-bis(4-bromophenyl)-7,11-dihydro-6H-chromeno[4,3-d][1,2,4]triazolo[1,5-a]pyrimidine |
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