 | | FXA | | Name: | N-(2-(((5-CHLORO-2-PYRIDINYL)AMINO)SULFONYL)PHENYL)-4-(2-OXO-1(2H)-PYRIDINYL)BENZAMIDE | | Formula: | C23 H17 Cl N4 O4 S | | SMILES: | Clc1ccc(nc1)NS(=O)(=O)c2ccccc2NC(=O)c3ccc(cc3)N4C=CC=CC4=O | | InChi: | InChI=1S/C23H17ClN4O4S/c24-17-10-13-21(25-15-17)27-33(31,32)20-6-2-1-5-19(20)26-23(30)16-8-11-18(12-9-16)28-14-4-3-7-22(28)29/h1-15H,(H,25,27)(H,26,30) | | Synonyms: | N-{2-[(5-chloropyridin-2-yl)sulfamoyl]phenyl}-4-(2-oxopyridin-1(2H)-yl)benzamide | | Definition date: | 2008-03-06 | | Last modified: | 2020-06-17 | | Identifier: | N-{2-[(5-chloropyridin-2-yl)sulfamoyl]phenyl}-4-(2-oxopyridin-1(2H)-yl)benzamide |
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 | | FXY | | Name: | 1-METHYLHEPTYLFORMAMIDE | | Formula: | C9 H19 N O | | SMILES: | O=CNC(CCCCCC)C | | InChi: | InChI=1S/C9H19NO/c1-3-4-5-6-7-9(2)10-8-11/h8-9H,3-7H2,1-2H3,(H,10,11)/t9-/m1/s1 | | Synonyms: | N-1-METHYLHEPTYLFORMAMIDE | | Definition date: | 2004-07-25 | | Last modified: | 2020-06-17 | | Identifier: | N-[(1R)-1-methylheptyl]formamide |
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 | | G1K | | Name: | 5-hydroxy-6-oxo-2-[(2S)-1-(phenoxyacetyl)pyrrolidin-2-yl]-1,6-dihydropyrimidine-4-carboxylic acid | | Formula: | C17 H17 N3 O6 | | SMILES: | C3(NC(C2N(C(COc1ccccc1)=O)CCC2)=NC(=C3O)C(O)=O)=O | | InChi: | InChI=1S/C17H17N3O6/c21-12(9-26-10-5-2-1-3-6-10)20-8-4-7-11(20)15-18-13(17(24)25)14(22)16(23)19-15/h1-3,5-6,11,22H,4,7-9H2,(H,24,25)(H,18,19,23)/t11-/m0/s1 | | Synonyms: | SRI-29680 | | Definition date: | 2017-07-11 | | Last modified: | 2020-06-17 | | Release date: | 2018-01-03 | | Identifier: | 5-hydroxy-6-oxo-2-[(2S)-1-(phenoxyacetyl)pyrrolidin-2-yl]-1,6-dihydropyrimidine-4-carboxylic acid |
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 | | G26 | | Name: | 2-(BENZYLCARBAMOYL-PHENYLACETYLAMINO-METHYL)-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID
(HYDROXYMETHYL-2-PHENYLETHYL)AMIDE | | Formula: | C32 H38 N4 O4 S | | SMILES: | O=C(NC(C(=O)NCc1ccccc1)C2SC(C(N2)C(=O)NC(Cc3ccccc3)CO)(C)C)Cc4ccccc4 | | InChi: | InChI=1S/C32H38N4O4S/c1-32(2)28(30(40)34-25(21-37)18-22-12-6-3-7-13-22)36-31(41-32)27(29(39)33-20-24-16-10-5-11-17-24)35-26(38)19-23-14-8-4-9-15-23/h3-17,25,27-28,31,36-37H,18-21H2,1-2H3,(H,33,39)(H,34,40)(H,35,38)/t25-,27-,28+,31-/m1/s1 | | Synonyms: | GR126045 | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | (2R,4S)-2-{(1R)-2-(benzylamino)-2-oxo-1-[(phenylacetyl)amino]ethyl}-N-[(1R)-1-benzyl-2-hydroxyethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide |
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 | | G46 | | Name: | GUANOSINE-5'-MONOTHIOPHOSPHATE | | Formula: | C10 H14 N5 O7 P S | | SMILES: | O=P(O)(S)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O | | InChi: | InChI=1S/C10H14N5O7PS/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(22-9)1-21-23(19,20)24/h2-3,5-6,9,16-17H,1H2,(H2,19,20,24)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1 | | Synonyms: | 5'-O-thiophosphonoguanosine | | Definition date: | 1998-01-07 | | Last modified: | 2020-06-17 | | Identifier: | 5'-O-thiophosphonoguanosine |
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 | | 270 | | Name: | 2H-BENZOIMIDAZOL-2-YLAMINE | | Formula: | C7 H7 N3 | | SMILES: | N1=C2C=CC=CC2=NC1N | | InChi: | InChI=1S/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4,7H,8H2 | | Synonyms: | ZK-800270 | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | 2H-benzimidazol-2-amine |
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 | | 27H | | Name: | ferutinine | | Formula: | C22 H30 O4 | | SMILES: | O=C(OC1C2C(CC=C(C)C1)(CCC2(O)C(C)C)C)c3ccc(O)cc3 | | InChi: | InChI=1S/C22H30O4/c1-14(2)22(25)12-11-21(4)10-9-15(3)13-18(19(21)22)26-20(24)16-5-7-17(23)8-6-16/h5-9,14,18-19,23,25H,10-13H2,1-4H3/t18-,19+,21-,22+/m0/s1 | | Synonyms: | (3R,3aS,4S,8aR)-3-hydroxy-6,8a-dimethyl-3-(propan-2-yl)-1,2,3,3a,4,5,8,8a-octahydroazulen-4-yl 4-hydroxybenzoate | | Definition date: | 2013-09-05 | | Last modified: | 2020-06-17 | | Release date: | 2014-09-03 | | Identifier: | (3R,3aS,4S,8aR)-3-hydroxy-6,8a-dimethyl-3-(propan-2-yl)-1,2,3,3a,4,5,8,8a-octahydroazulen-4-yl 4-hydroxybenzoate |
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 | | 27O | | Name: | (2R)-2-(4-cyclohexylnaphthalen-1-yl)propanoic acid | | Formula: | C19 H22 O2 | | SMILES: | O=C(O)C(c2ccc(c1ccccc12)C3CCCCC3)C | | InChi: | InChI=1S/C19H22O2/c1-13(19(20)21)15-11-12-16(14-7-3-2-4-8-14)18-10-6-5-9-17(15)18/h5-6,9-14H,2-4,7-8H2,1H3,(H,20,21)/t13-/m1/s1 | | Synonyms: | (R)-Vedaprofen | | Definition date: | 2013-09-05 | | Last modified: | 2020-06-17 | | Release date: | 2013-09-18 | | Identifier: | (2R)-2-(4-cyclohexylnaphthalen-1-yl)propanoic acid |
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 | | 28E | | Name: | (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol | | Formula: | C15 H14 O6 | | SMILES: | Oc1ccc(cc1O)C3Oc2cc(O)cc(O)c2CC3O | | InChi: | InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1 | | Synonyms: | Epicatechin | | Definition date: | 2013-09-09 | | Last modified: | 2020-06-17 | | Release date: | 2013-11-27 | | Identifier: | (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol |
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 | | 28U | | Name: | (3R,6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol | | Formula: | C15 H26 O | | SMILES: | OC(/C=C)(CC/C=C(/CC/C=C(C)C)C)C | | InChi: | InChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3/b14-11+/t15-/m0/s1 | | Synonyms: | trans-Nerolidol | | Definition date: | 2013-09-10 | | Last modified: | 2020-06-17 | | Release date: | 2014-01-29 | | Identifier: | (3R,6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol |
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 | | 292 | | Name: | N-(3-CYCLOPROPYL-1H-PYRAZOL-5-YL)-2-(2-NAPHTHYL)ACETAMIDE | | Formula: | C18 H17 N3 O | | SMILES: | O=C(Nc1cc(nn1)C2CC2)Cc4cc3ccccc3cc4 | | InChi: | InChI=1S/C18H17N3O/c22-18(19-17-11-16(20-21-17)14-7-8-14)10-12-5-6-13-3-1-2-4-15(13)9-12/h1-6,9,11,14H,7-8,10H2,(H2,19,20,21,22) | | Synonyms: | PNU-292137 INHIBITOR | | Definition date: | 2004-05-07 | | Last modified: | 2020-06-17 | | Identifier: | N-(3-cyclopropyl-1H-pyrazol-5-yl)-2-naphthalen-2-ylacetamide |
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 | | 29S | | Name: | Bazedoxifene | | Formula: | C30 H34 N2 O3 | | SMILES: | Oc1ccc(cc1)c3c(c2cc(O)ccc2n3Cc5ccc(OCCN4CCCCCC4)cc5)C | | InChi: | InChI=1S/C30H34N2O3/c1-22-28-20-26(34)12-15-29(28)32(30(22)24-8-10-25(33)11-9-24)21-23-6-13-27(14-7-23)35-19-18-31-16-4-2-3-5-17-31/h6-15,20,33-34H,2-5,16-19,21H2,1H3 | | Synonyms: | 1-{4-[2-(azepan-1-yl)ethoxy]benzyl}-2-(4-hydroxyphenyl)-3-methyl-1H-indol-5-ol | | Definition date: | 2013-09-13 | | Last modified: | 2020-06-17 | | Release date: | 2016-01-13 | | Identifier: | 1-{4-[2-(azepan-1-yl)ethoxy]benzyl}-2-(4-hydroxyphenyl)-3-methyl-1H-indol-5-ol |
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 | | 29W | | Name: | (5-methoxy-2-{[(4-methylphenyl)sulfonyl]carbamoyl}-1H-indol-1-yl)acetic acid | | Formula: | C19 H18 N2 O6 S | | SMILES: | O=S(=O)(c1ccc(cc1)C)NC(=O)c3cc2cc(OC)ccc2n3CC(=O)O | | InChi: | InChI=1S/C19H18N2O6S/c1-12-3-6-15(7-4-12)28(25,26)20-19(24)17-10-13-9-14(27-2)5-8-16(13)21(17)11-18(22)23/h3-10H,11H2,1-2H3,(H,20,24)(H,22,23) | | Synonyms: | 2-(5-METHOXY-2-(TOSYLCARBAMOYL)-1H-INDOL-1-YL)ACETIC ACID | | Definition date: | 2013-09-16 | | Last modified: | 2020-06-17 | | Release date: | 2014-08-27 | | Identifier: | (5-methoxy-2-{[(4-methylphenyl)sulfonyl]carbamoyl}-1H-indol-1-yl)acetic acid |
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 | | 2BA | | Name: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8
]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide | | Formula: | C20 H24 N10 O12 P2 | | SMILES: | O=P5(OCC7OC(n1c2ncnc(N)c2nc1)C(O)C7OP(=O)(O)OCC6OC(n3c4ncnc(N)c4nc3)C(O)C6O5)O | | InChi: | InChI=1S/C20H24N10O12P2/c21-15-9-17(25-3-23-15)29(5-27-9)19-11(31)13-7(39-19)1-37-43(33,34)42-14-8(2-38-44(35,36)41-13)40-20(12(14)32)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-32H,1-2H2,(H,33,34)(H,35,36)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1 | | Synonyms: | bis-(3',5')-cyclic-dimeric-Adenosine-monophosphate | | Definition date: | 2008-01-29 | | Last modified: | 2020-06-17 | | Identifier: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide |
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 | | 2BQ | | Name: | 2-hydroxysaclofen | | Formula: | C9 H12 Cl N O4 S | | SMILES: | Clc1ccc(cc1)C(O)(CN)CS(=O)(=O)O | | InChi: | InChI=1S/C9H12ClNO4S/c10-8-3-1-7(2-4-8)9(12,5-11)6-16(13,14)15/h1-4,12H,5-6,11H2,(H,13,14,15)/t9-/m0/s1 | | Synonyms: | (2S)-3-amino-2-(4-chlorophenyl)-2-hydroxypropane-1-sulfonic acid | | Definition date: | 2013-09-19 | | Last modified: | 2020-06-17 | | Release date: | 2013-12-11 | | Identifier: | (2S)-3-amino-2-(4-chlorophenyl)-2-hydroxypropane-1-sulfonic acid |
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 | | 2BR | | Name: | 2-BROMOPHENOL | | Formula: | C6 H5 Br O | | SMILES: | Brc1ccccc1O | | InChi: | InChI=1S/C6H5BrO/c7-5-3-1-2-4-6(5)8/h1-4,8H | | Synonyms: | BROMOPHENOL | | Definition date: | 2005-08-03 | | Last modified: | 2020-06-17 | | Identifier: | 2-bromophenol |
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 | | 2BW | | Name: | (S)-(3-aminopropyl)(diethoxymethyl)phosphinic acid | | Formula: | C8 H20 N O4 P | | SMILES: | O=P(O)(CCCN)C(OCC)OCC | | InChi: | InChI=1S/C8H20NO4P/c1-3-12-8(13-4-2)14(10,11)7-5-6-9/h8H,3-7,9H2,1-2H3,(H,10,11) | | Synonyms: | CGP 35348 | | Definition date: | 2013-09-19 | | Last modified: | 2020-06-17 | | Release date: | 2013-12-11 | | Identifier: | (S)-(3-aminopropyl)(diethoxymethyl)phosphinic acid |
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 | | 2BY | | Name: | phaclofen | | Formula: | C9 H13 Cl N O3 P | | SMILES: | Clc1ccc(cc1)C(CP(=O)(O)O)CN | | InChi: | InChI=1S/C9H13ClNO3P/c10-9-3-1-7(2-4-9)8(5-11)6-15(12,13)14/h1-4,8H,5-6,11H2,(H2,12,13,14)/t8-/m1/s1 | | Synonyms: | [(2R)-3-amino-2-(4-chlorophenyl)propyl]phosphonic acid | | Definition date: | 2013-09-19 | | Last modified: | 2020-06-17 | | Release date: | 2013-12-11 | | Identifier: | [(2R)-3-amino-2-(4-chlorophenyl)propyl]phosphonic acid |
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 | | 2C0 | | Name: | baclofen | | Formula: | C10 H12 Cl N O2 | | SMILES: | Clc1ccc(cc1)C(CN)CC(=O)O | | InChi: | InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)/t8-/m0/s1 | | Synonyms: | (3R)-4-amino-3-(4-chlorophenyl)butanoic acid | | Definition date: | 2013-09-19 | | Last modified: | 2020-06-17 | | Release date: | 2013-12-11 | | Identifier: | (3R)-4-amino-3-(4-chlorophenyl)butanoic acid |
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 | | 2CC | | Name: | 3,4-bis(7-chloro-1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylic acid | | Formula: | C22 H13 Cl2 N3 O4 | | SMILES: | Clc1cccc2c1ncc2c5c(C(=O)O)nc(C(=O)O)c5c4c3cccc(Cl)c3nc4 | | InChi: | InChI=1S/C22H13Cl2N3O4/c23-13-5-1-3-9-11(7-25-17(9)13)15-16(20(22(30)31)27-19(15)21(28)29)12-8-26-18-10(12)4-2-6-14(18)24/h1-8,25-27H,(H,28,29)(H,30,31) | | Synonyms: | 11,11'-Dichlorochromopyrrolic Acid | | Definition date: | 2009-04-13 | | Last modified: | 2020-06-17 | | Identifier: | 3,4-bis(7-chloro-1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylic acid |
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 | | 2CU | | Name: | 3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide | | Formula: | C19 H24 Cl N5 O3 S | | SMILES: | Clc2c(c3c(nc2OCC(=O)N1CCN(C)CC1)sc(c3N)C(=O)NC4CC4)C | | InChi: | InChI=1S/C19H24ClN5O3S/c1-10-13-15(21)16(17(27)22-11-3-4-11)29-19(13)23-18(14(10)20)28-9-12(26)25-7-5-24(2)6-8-25/h11H,3-9,21H2,1-2H3,(H,22,27) | | Synonyms: | LY2119620 positive allosteric modulator of M2/M4 receptor | | Definition date: | 2013-09-20 | | Last modified: | 2020-06-17 | | Release date: | 2013-11-27 | | Identifier: | 3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide |
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 | | 2DI | | Name: | 9-[(2R,5R)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-2-YL]-1,9-DIHYDRO-6H-PURIN-6-ONE | | Formula: | C10 H12 N4 O3 | | SMILES: | O=C1c2ncn(c2N=CN1)C3OC(CC3)CO | | InChi: | InChI=1S/C10H12N4O3/c15-3-6-1-2-7(17-6)14-5-13-8-9(14)11-4-12-10(8)16/h4-7,15H,1-3H2,(H,11,12,16)/t6-,7+/m0/s1 | | Synonyms: | 2',3'-DIDEOXYINOSINE | | Definition date: | 2003-11-11 | | Last modified: | 2020-06-17 | | Identifier: | 9-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,9-dihydro-6H-purin-6-one |
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 | | 2EL | | Name: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[2-(2-hydroxyethoxy)ethyl]sulfanyl}methyl)pyrrolidin-3-
ol | | Formula: | C16 H25 N5 O3 S | | SMILES: | OCCOCCSCC3CN(Cc2cnc1c2ncnc1N)CC3O | | InChi: | InChI=1S/C16H25N5O3S/c17-16-15-14(19-10-20-16)11(5-18-15)6-21-7-12(13(23)8-21)9-25-4-3-24-2-1-22/h5,10,12-13,18,22-23H,1-4,6-9H2,(H2,17,19,20)/t12-,13+/m1/s1 | | Synonyms: | DIETGLYCOL-THIO-DADME-IMMUCILLIN-A | | Definition date: | 2012-05-09 | | Last modified: | 2020-06-17 | | Release date: | 2013-05-01 | | Identifier: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[2-(2-hydroxyethoxy)ethyl]sulfanyl}methyl)pyrrolidin-3-ol |
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 | | 2FA | | Name: | 2-(6-AMINO-2-FLUORO-PURIN-9-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL | | Formula: | C10 H12 F N5 O4 | | SMILES: | Fc1nc(c2ncn(c2n1)C3OC(C(O)C3O)CO)N | | InChi: | InChI=1S/C10H12FN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1 | | Synonyms: | 2-FLUOROADENOSINE | | Definition date: | 2003-08-06 | | Last modified: | 2020-06-17 | | Identifier: | 2-fluoroadenosine |
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 | | 2FD | | Name: | 5-(6-AMINO-2-FLUORO-PURIN-9-YL)-2-HYDROXYMETHYL-TETRAHYDRO-FURAN-3-OL | | Formula: | C10 H12 F N5 O3 | | SMILES: | Fc1nc(c2ncn(c2n1)C3OC(C(O)C3)CO)N | | InChi: | InChI=1S/C10H12FN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)/t4-,5+,6+/m0/s1 | | Synonyms: | 2-FLUORO-2'-DEOXYADENOSINE | | Definition date: | 2003-08-06 | | Last modified: | 2020-06-17 | | Identifier: | 2'-deoxy-2-fluoroadenosine |
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