 | | 3PD | | Name: | 2-AMINO-9-(2-DEOXY-3-O-PHOSPHONOPENTOFURANOSYL)-1,9-DIHYDRO-6H-PURIN-6-ONE | | Formula: | C10 H14 N5 O7 P | | SMILES: | O=C1c2ncn(c2N=C(N)N1)C3OC(C(OP(=O)(O)O)C3)CO | | InChi: | InChI=1S/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(5(2-16)21-6)22-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1 | | Synonyms: | 2'-DEOXYGUANOSINE-3'-MONOPHOSPHATE | | Definition date: | 2006-04-14 | | Last modified: | 2020-06-17 | | Identifier: | 2'-deoxy-3'-guanylic acid |
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 | | D54 | | Name: | 4-deoxy-L-threo-hex-5-ulosuronic acid | | Formula: | C6 H8 O6 | | SMILES: | O=CC(O)C(O)CC(=O)C(=O)O | | InChi: | InChI=1S/C6H8O6/c7-2-5(10)3(8)1-4(9)6(11)12/h2-3,5,8,10H,1H2,(H,11,12)/t3-,5-/m0/s1 | | Synonyms: | 5-keto-4-deoxy-D-Galacturonate | | Definition date: | 2011-03-23 | | Last modified: | 2020-06-17 | | Identifier: | 4-deoxy-L-threo-hex-5-ulosuronic acid |
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 | | 3PH | | Name: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE | | Formula: | C39 H77 O8 P | | SMILES: | O=P(O)(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)O | | InChi: | InChI=1S/C39H77O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36H2,1-2H3,(H2,42,43,44)/t37-/m1/s1 | | Synonyms: | PHOSPHATIDIC ACID | | Definition date: | 2003-07-09 | | Last modified: | 2020-06-17 | | Identifier: | (2R)-3-(phosphonooxy)propane-1,2-diyl dioctadecanoate |
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 | | 3PP | | Name: | 3-PHOSPHONOPROPANOIC ACID | | Formula: | C3 H7 O5 P | | SMILES: | O=C(O)CCP(=O)(O)O | | InChi: | InChI=1S/C3H7O5P/c4-3(5)1-2-9(6,7)8/h1-2H2,(H,4,5)(H2,6,7,8) | | Synonyms: | 2-CARBOXYETHYLPHOSPHONIC ACID | | Definition date: | 2000-12-14 | | Last modified: | 2020-06-17 | | Identifier: | 3-phosphonopropanoic acid |
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 | | D5G | | Name: | (2S)-4-METHYL-2-(3-PHENYLTHIOUREIDO)-N-((3S)-TETRAHYDRO-2-HYDROXY-3-FURANYL)PENTANAMIDE | | Formula: | C17 H25 N3 O3 S | | SMILES: | O=C(NC1COC(O)C1)C(NC(=S)Nc2ccccc2)CC(C)C | | InChi: | InChI=1S/C17H25N3O3S/c1-11(2)8-14(16(22)18-13-9-15(21)23-10-13)20-17(24)19-12-6-4-3-5-7-12/h3-7,11,13-15,21H,8-10H2,1-2H3,(H,18,22)(H2,19,20,24)/t13-,14-,15-/m0/s1 | | Synonyms: | SNJ-1715 | | Definition date: | 2006-03-08 | | Last modified: | 2020-06-17 | | Identifier: | N-[(3S,5S)-5-hydroxytetrahydrofuran-3-yl]-N~2~-(phenylcarbamothioyl)-L-leucinamide |
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 | | D5H | | Name: | 2-[[2-fluoranyl-4-(3-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid | | Formula: | C20 H18 F N O4 | | SMILES: | COc1cccc(c1)c2ccc(NC(=O)C3=C(CCC3)C(O)=O)c(F)c2 | | InChi: | InChI=1S/C20H18FNO4/c1-26-14-5-2-4-12(10-14)13-8-9-18(17(21)11-13)22-19(23)15-6-3-7-16(15)20(24)25/h2,4-5,8-11H,3,6-7H2,1H3,(H,22,23)(H,24,25) | | Synonyms: | Vidofludimus, 2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid | | Definition date: | 2017-08-01 | | Last modified: | 2020-06-17 | | Release date: | 2018-10-31 | | Identifier: | 2-[[2-fluoranyl-4-(3-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid |
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 | | D5T | | Name: | 1-[2-[4-[(4~{a}~{S},8~{a}~{R})-4-(3,4-dimethoxyphenyl)-1-oxidanylidene-4~{a},5,8,8~{a}-tetrahydrophthalazin-2-yl]piperi
din-1-yl]-2-oxidanylidene-ethyl]-4,4-dimethyl-piperidine-2,6-dione | | Formula: | C30 H38 N4 O6 | | SMILES: | COc1ccc(cc1OC)C2=NN(C3CCN(CC3)C(=O)CN4C(=O)CC(C)(C)CC4=O)C(=O)[CH]5CC=CC[CH]25 | | InChi: | InChI=1S/C30H38N4O6/c1-30(2)16-25(35)33(26(36)17-30)18-27(37)32-13-11-20(12-14-32)34-29(38)22-8-6-5-7-21(22)28(31-34)19-9-10-23(39-3)24(15-19)40-4/h5-6,9-10,15,20-22H,7-8,11-14,16-18H2,1-4H3/t21-,22+/m0/s1 | | Synonyms: | NPD-226 | | Definition date: | 2017-12-25 | | Last modified: | 2020-06-17 | | Release date: | 2019-04-10 | | Identifier: | 1-[2-[4-[(4~{a}~{S},8~{a}~{R})-4-(3,4-dimethoxyphenyl)-1-oxidanylidene-4~{a},5,8,8~{a}-tetrahydrophthalazin-2-yl]piperidin-1-yl]-2-oxidanylidene-ethyl]-4,4-dimethyl-piperidine-2,6-dione |
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 | | 3QB | | Name: | LINCOMYCIN | | Formula: | C18 H34 N2 O6 S | | SMILES: | O=C(NC(C1OC(SC)C(O)C(O)C1O)C(O)C)C2N(C)CC(CCC)C2 | | InChi: | InChI=1S/C18H34N2O6S/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25)/t9-,10-,11+,12-,13+,14-,15-,16-,18-/m1/s1 | | Synonyms: | methyl (5R)-5-[(1R,2R)-2-hydroxy-1-{[(4R)-1-methyl-4-propyl-L-prolyl]amino}propyl]-1-thio-beta-L-arabinopyranoside | | Definition date: | 2014-10-07 | | Last modified: | 2020-06-17 | | Release date: | 2014-11-05 | | Identifier: | methyl (5R)-5-[(1R,2R)-2-hydroxy-1-{[(4R)-1-methyl-4-propyl-L-prolyl]amino}propyl]-1-thio-beta-L-arabinopyranoside |
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 | | D6P | | Name: | (3,4,5,7-TETRAHYDROXY-HEPT-1-ENYL)-PHOSPHONIC ACID | | Formula: | C7 H15 O7 P | | SMILES: | O=P(O)(O)/C=C/C(O)C(O)C(O)CCO | | InChi: | InChI=1S/C7H15O7P/c8-3-1-5(9)7(11)6(10)2-4-15(12,13)14/h2,4-11H,1,3H2,(H2,12,13,14)/b4-2+/t5-,6-,7+/m1/s1 | | Synonyms: | 2-DEOXY-D-GLUCITOL 6-(E)-VINYLHOMOPHOSPHONATE | | Definition date: | 2003-12-03 | | Last modified: | 2020-06-17 | | Identifier: | (6E)-2,6,7-trideoxy-7-phosphono-D-arabino-hept-6-enitol |
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 | | D76 | | Name: | (2R)-4-[(6-CHLORO-2-NAPHTHYL)SULFONYL]-1-[(5-METHYL-4,5,6,7-TETRAHYDRO[1,3]THIAZOLO[5,4-C]PYRIDIN-2-YL)CARBONYL]PIPERAZ
INE-2-CARBOXAMIDE | | Formula: | C23 H24 Cl N5 O4 S2 | | SMILES: | Clc2ccc1cc(ccc1c2)S(=O)(=O)N5CC(C(=O)N)N(C(=O)c3nc4c(s3)CN(CC4)C)CC5 | | InChi: | InChI=1S/C23H24ClN5O4S2/c1-27-7-6-18-20(13-27)34-22(26-18)23(31)29-9-8-28(12-19(29)21(25)30)35(32,33)17-5-3-14-10-16(24)4-2-15(14)11-17/h2-5,10-11,19H,6-9,12-13H2,1H3,(H2,25,30)/t19-/m1/s1 | | Synonyms: | 1-[6-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO(5,4-C)PYRIDIN-2-YL]
CARBONYL-2-CARBAMOYL-4-(6-CHLORONAPHTH-2-YLSULPHONYL)PIPERAZINE | | Definition date: | 2003-11-10 | | Last modified: | 2020-06-17 | | Identifier: | (2R)-4-[(6-chloronaphthalen-2-yl)sulfonyl]-1-[(5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbonyl]piperazine-2-carboxamide |
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 | | D78 | | Name: | (5S)-N-[(1S,2R)-2-Hydroxy-3-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-(phenylmethyl)propyl]-2-oxo-3-[3-(trif
luoromethyl)phenyl]-5-oxazolidinecarboxamide | | Formula: | C32 H36 F3 N3 O7 S | | SMILES: | O=C4OC(C(=O)NC(Cc1ccccc1)C(O)CN(CC(C)C)S(=O)(=O)c2ccc(OC)cc2)CN4c3cccc(c3)C(F)(F)F | | InChi: | InChI=1S/C32H36F3N3O7S/c1-21(2)18-37(46(42,43)26-14-12-25(44-3)13-15-26)19-28(39)27(16-22-8-5-4-6-9-22)36-30(40)29-20-38(31(41)45-29)24-11-7-10-23(17-24)32(33,34)35/h4-15,17,21,27-29,39H,16,18-20H2,1-3H3,(H,36,40)/t27-,28+,29-/m0/s1 | | Synonyms: | (5S)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]-2-oxo-3-[3-(trifluoromet
hyl)phenyl]-1,3-oxazolidine-5-carboxamide | | Definition date: | 2009-03-06 | | Last modified: | 2020-06-17 | | Identifier: | (5S)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]-2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide |
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 | | 3S5 | | Name: | Taurocyamine | | Formula: | C3 H9 N3 O3 S | | SMILES: | O=S(=O)(O)CCNC(=[N@H])N | | InChi: | InChI=1S/C3H9N3O3S/c4-3(5)6-1-2-10(7,8)9/h1-2H2,(H4,4,5,6)(H,7,8,9) | | Synonyms: | 2-carbamimidamidoethanesulfonic acid | | Definition date: | 2014-10-16 | | Last modified: | 2020-06-17 | | Release date: | 2015-04-15 | | Identifier: | 2-carbamimidamidoethanesulfonic acid |
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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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 | | 3SL | | Name: | (2R)-3-SULFOLACTIC ACID | | Formula: | C3 H6 O6 S | | SMILES: | O=C(O)C(O)CS(=O)(=O)O | | InChi: | InChI=1S/C3H6O6S/c4-2(3(5)6)1-10(7,8)9/h2,4H,1H2,(H,5,6)(H,7,8,9)/t2-/m0/s1 | | Synonyms: | (R)-2-HYDROXY-3-SULFOPROPANOIC ACID | | Definition date: | 2005-01-31 | | Last modified: | 2020-06-17 | | Identifier: | (2R)-2-hydroxy-3-sulfopropanoic acid |
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 | | FOM | | Name: | 3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID | | Formula: | C4 H10 N O5 P | | SMILES: | O=P(O)(O)CCCN(O)C=O | | InChi: | InChI=1S/C4H10NO5P/c6-4-5(7)2-1-3-11(8,9)10/h4,7H,1-3H2,(H2,8,9,10) | | Synonyms: | FOSMIDOMYCIN | | Definition date: | 2003-03-05 | | Last modified: | 2020-06-17 | | Identifier: | {3-[formyl(hydroxy)amino]propyl}phosphonic acid |
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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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 | | FOT | | Name: | 5-FLUORO-2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID | | Formula: | C5 H3 F N2 O4 | | SMILES: | O=C(O)C1=C(F)C(=O)NC(=O)N1 | | InChi: | InChI=1S/C5H3FN2O4/c6-1-2(4(10)11)7-5(12)8-3(1)9/h(H,10,11)(H2,7,8,9,12) | | Synonyms: | 5-FLUOROOROTIC ACID | | Definition date: | 2006-11-09 | | Last modified: | 2020-06-17 | | Identifier: | 5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid |
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 | | FOU | | Name: | (5S,6R)-5-FLUORO-6-HYDROXYDIHYDROPYRIMIDINE-2,4(1H,3H)-DIONE | | Formula: | C4 H7 F N2 O3 | | SMILES: | FC1C(O)NC(=O)NC1O | | InChi: | InChI=1S/C4H7FN2O3/c5-1-2(8)6-4(10)7-3(1)9/h1-3,8-9H,(H2,6,7,10)/t2-,3-/m1/s1 | | Synonyms: | (5S,6R)-5-FLUORO-6-HYDROXY-PSEUDOURIDINE | | Definition date: | 2006-09-05 | | Last modified: | 2020-06-17 | | Identifier: | (4R,6R)-5-fluoro-4,6-dihydroxytetrahydropyrimidin-2(1H)-one |
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 | | 3TA | | Name: | 9-chloro-2-({5-[3-(dimethylamino)propyl]-2-methylpyridin-3-yl}amino)-5,7-dihydro-6H-pyrimido[5,4-d][1]benzazepine-6-thi
one | | Formula: | C23 H25 Cl N6 S | | SMILES: | Clc4cc2c(c1nc(ncc1CC(=S)N2)Nc3cc(cnc3C)CCCN(C)C)cc4 | | InChi: | InChI=1S/C23H25ClN6S/c1-14-19(9-15(12-25-14)5-4-8-30(2)3)28-23-26-13-16-10-21(31)27-20-11-17(24)6-7-18(20)22(16)29-23/h6-7,9,11-13H,4-5,8,10H2,1-3H3,(H,27,31)(H,26,28,29) | | Synonyms: | MLN0905 | | Definition date: | 2011-08-26 | | Last modified: | 2020-06-17 | | Identifier: | 9-chloro-2-({5-[3-(dimethylamino)propyl]-2-methylpyridin-3-yl}amino)-5,7-dihydro-6H-pyrimido[5,4-d][1]benzazepine-6-thione |
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 | | 3TC | | Name: | 4-AMINO-1-[(2R,5S)-2-(HYDROXYMETHYL)-1,3-OXATHIOLAN-5-YL]PYRIMIDIN-2(1H)-ONE | | Formula: | C8 H11 N3 O3 S | | SMILES: | O=C1N=C(N)C=CN1C2OC(SC2)CO | | InChi: | InChI=1S/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7+/m0/s1 | | Synonyms: | (-)-L-2',3'-DIDEOXY-3'-THIACYTIDINE | | Definition date: | 2006-10-26 | | Last modified: | 2020-06-17 | | Identifier: | 4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2(1H)-one |
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 | | FPH | | Name: | 3-(4-FLUOROPHENYL)-2-PYRIDIN-4-YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL | | Formula: | C18 H12 F N3 O | | SMILES: | Fc4ccc(c2c1ncccc1n(O)c2c3ccncc3)cc4 | | InChi: | InChI=1S/C18H12FN3O/c19-14-5-3-12(4-6-14)16-17-15(2-1-9-21-17)22(23)18(16)13-7-10-20-11-8-13/h1-11,23H | | Synonyms: | 3-(4-FLUOROPHENYL)-1-HYDROXY-2-(PYRIDIN-4-YL)-1H-PYRROLO[3,2-B]PYRIDINE | | Definition date: | 2003-04-09 | | Last modified: | 2020-06-17 | | Identifier: | 3-(4-fluorophenyl)-2-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridin-1-ol |
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 | | FPY | | Name: | (4S)-5-FLUORO-4-HYDROXY-3,4-DIHYDROPYRIMIDIN-2(1H)-ONE | | Formula: | C4 H5 F N2 O2 | | SMILES: | FC1=CNC(=O)NC1O | | InChi: | InChI=1S/C4H5FN2O2/c5-2-1-6-4(9)7-3(2)8/h1,3,8H,(H2,6,7,9)/t3-/m0/s1 | | Synonyms: | 5-FLUORO-4-(S)-HYDROXY-3,4-DIHYDROPYRIMIDINE | | Definition date: | 2003-11-10 | | Last modified: | 2020-06-17 | | Identifier: | (4S)-5-fluoro-4-hydroxy-3,4-dihydropyrimidin-2(1H)-one |
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 | | FR2 | | Name: | 1-((1R)-1-(HYDROXYMETHYL)-3-PHENYLPROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE | | Formula: | C14 H17 N3 O2 | | SMILES: | O=C(c1ncn(c1)C(CO)CCc2ccccc2)N | | InChi: | InChI=1S/C14H17N3O2/c15-14(19)13-8-17(10-16-13)12(9-18)7-6-11-4-2-1-3-5-11/h1-5,8,10,12,18H,6-7,9H2,(H2,15,19)/t12-/m1/s1 | | Synonyms: | FR221647 | | Definition date: | 2002-12-13 | | Last modified: | 2020-06-17 | | Identifier: | 1-[(1R)-1-(hydroxymethyl)-3-phenylpropyl]-1H-imidazole-4-carboxamide |
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 | | FR3 | | Name: | 1-((1R)-1-(HYDROXYMETHYL)-3-(1-NAPHTHYL)PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE | | Formula: | C18 H19 N3 O2 | | SMILES: | O=C(c1ncn(c1)C(CO)CCc3c2ccccc2ccc3)N | | InChi: | InChI=1S/C18H19N3O2/c19-18(23)17-10-21(12-20-17)15(11-22)9-8-14-6-3-5-13-4-1-2-7-16(13)14/h1-7,10,12,15,22H,8-9,11H2,(H2,19,23)/t15-/m1/s1 | | Synonyms: | FR230513 | | Definition date: | 2002-12-13 | | Last modified: | 2020-06-17 | | Identifier: | 1-[(1R)-1-(hydroxymethyl)-3-naphthalen-1-ylpropyl]-1H-imidazole-4-carboxamide |
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 | | FR7 | | Name: | 1-{(1R,2S)-1-[2-(2,3,-DICHLOROPHENYL)ETHYL]-2-HYDROXYPROPYL}-1H-IMIDAZOLE-4-CARBOXAMIDE | | Formula: | C15 H17 Cl2 N3 O2 | | SMILES: | Clc1cccc(c1Cl)CCC(n2cc(nc2)C(=O)N)C(O)C | | InChi: | InChI=1S/C15H17Cl2N3O2/c1-9(21)13(20-7-12(15(18)22)19-8-20)6-5-10-3-2-4-11(16)14(10)17/h2-4,7-9,13,21H,5-6H2,1H3,(H2,18,22)/t9-,13+/m0/s1 | | Synonyms: | FR239087 | | Definition date: | 2003-12-16 | | Last modified: | 2020-06-17 | | Identifier: | 1-{(1R,2S)-1-[2-(2,3-dichlorophenyl)ethyl]-2-hydroxypropyl}-1H-imidazole-4-carboxamide |
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