 | | NIL | | Name: | Nilotinib | | Formula: | C28 H22 F3 N7 O | | SMILES: | FC(F)(F)c1cc(cc(c1)n2cc(nc2)C)NC(=O)c5ccc(c(Nc4nc(c3cccnc3)ccn4)c5)C | | InChi: | InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37) | | Synonyms: | 4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide | | Definition date: | 2008-04-11 | | Last modified: | 2021-03-01 | | Identifier: | 4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide |
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 | | NIZ | | Name: | pyridine-4-carbohydrazide | | Formula: | C6 H7 N3 O | | SMILES: | O=C(NN)c1ccncc1 | | InChi: | InChI=1S/C6H7N3O/c7-9-6(10)5-1-3-8-4-2-5/h1-4H,7H2,(H,9,10) | | Synonyms: | isonicotinic acid hydrazid | | Definition date: | 2010-05-21 | | Last modified: | 2021-03-01 | | Identifier: | pyridine-4-carbohydrazide |
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 | | UGA | | Name: | URIDINE-5'-DIPHOSPHATE-GLUCURONIC ACID | | Formula: | C15 H22 N2 O18 P2 | | SMILES: | O=C(O)C3OC(OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)C2O)C(O)C(O)C3O | | InChi: | InChI=1S/C15H22N2O18P2/c18-5-1-2-17(15(26)16-5)12-9(22)6(19)4(32-12)3-31-36(27,28)35-37(29,30)34-14-10(23)7(20)8(21)11(33-14)13(24)25/h1-2,4,6-12,14,19-23H,3H2,(H,24,25)(H,27,28)(H,29,30)(H,16,18,26)/t4-,6-,7+,8+,9-,10-,11+,12-,14-/m1/s1 | | Synonyms: | UDP-GLUCURONIC ACID | | Definition date: | 1999-12-13 | | Last modified: | 2021-03-01 | | Identifier: | (2S,3S,4S,5R,6R)-6-{[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid (non-preferred name) |
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 | | UGC | | Name: | (2S)-(carbamoylamino)(hydroxy)ethanoic acid | | Formula: | C3 H6 N2 O4 | | SMILES: | O=C(O)C(O)NC(=O)N | | InChi: | InChI=1S/C3H6N2O4/c4-3(9)5-1(6)2(7)8/h1,6H,(H,7,8)(H3,4,5,9)/t1-/m0/s1 | | Synonyms: | (S)-Ureidoglycolate | | Definition date: | 2014-04-09 | | Last modified: | 2021-03-01 | | Release date: | 2014-07-23 | | Identifier: | (2S)-(carbamoylamino)(hydroxy)ethanoic acid |
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 | | ULI | | Name: | tetracontane | | Formula: | C40 H82 | | SMILES: | C(CCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC | | InChi: | InChI=1S/C40H82/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3 | | Synonyms: | n-Tetracontane | | Definition date: | 2011-08-18 | | Last modified: | 2021-03-01 | | Identifier: | tetracontane |
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 | | UMQ | | Name: | UNDECYL-MALTOSIDE | | Formula: | C23 H44 O11 | | SMILES: | O(CCCCCCCCCCC)C2OC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO | | InChi: | InChI=1S/C23H44O11/c1-2-3-4-5-6-7-8-9-10-11-31-22-20(30)18(28)21(15(13-25)33-22)34-23-19(29)17(27)16(26)14(12-24)32-23/h14-30H,2-13H2,1H3/t14-,15-,16-,17+,18-,19-,20-,21-,22-,23-/m1/s1 | | Synonyms: | UNDECYL-BETA-D-MALTOPYRANOSIDE | | Definition date: | 2002-09-09 | | Last modified: | 2021-03-01 | | Identifier: | undecyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside |
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 | | UND | | Name: | UNDECANE | | Formula: | C11 H24 | | SMILES: | C(CCCCCCCC)CC | | InChi: | InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3 | | Synonyms: | LIPID FRAGMENT | | Definition date: | 1999-09-17 | | Last modified: | 2021-03-01 | | Identifier: | undecane |
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 | | 9YL | | Name: | ethyl (2R)-2-oxidanylpropanoate | | Formula: | C5 H10 O3 | | SMILES: | CCOC(=O)[CH](C)O | | InChi: | InChI=1S/C5H10O3/c1-3-8-5(7)4(2)6/h4,6H,3H2,1-2H3/t4-/m1/s1 | | Synonyms: | Ethyl lactate | | Definition date: | 2018-08-30 | | Last modified: | 2021-03-01 | | Release date: | 2019-02-27 | | Identifier: | ethyl (2~{R})-2-oxidanylpropanoate |
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 | | 9Z1 | | Name: | (3E,7aR,12aS)-6-hydroxy-3-[(1H-imidazol-4-yl)methylidene]-12-methoxy-7a-(2-methylbut-3-en-2-yl)-7a,12-dihydro-1H,5H-imidazo[1',2':1,2]pyrido[2,3-b]indole-2,5(3H)-dione | | Formula: | C23 H23 N5 O4 | | SMILES: | CC(C)(C35C2(NC(C(=C/c1cncn1)N2C(C(=C3)O)=O)=O)N(c4ccccc45)OC)/C=C | | InChi: | InChI=1S/C23H23N5O4/c1-5-21(2,3)22-11-18(29)20(31)27-17(10-14-12-24-13-25-14)19(30)26-23(22,27)28(32-4)16-9-7-6-8-15(16)22/h5-13,29H,1H2,2-4H3,(H,24,25)(H,26,30)/b17-10+/t22-,23-/m0/s1 | | Synonyms: | Meleagrin | | Definition date: | 2017-06-27 | | Last modified: | 2021-03-01 | | Release date: | 2018-06-27 | | Identifier: | (3E,7aR,12aS)-6-hydroxy-3-[(1H-imidazol-4-yl)methylidene]-12-methoxy-7a-(2-methylbut-3-en-2-yl)-7a,12-dihydro-1H,5H-imidazo[1',2':1,2]pyrido[2,3-b]indole-2,5(3H)-dione |
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 | | UQA | | Name: | 5-ethyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione | | Formula: | C12 H12 N2 O3 | | SMILES: | CCC1(C(NC(=O)NC1=O)=O)c2ccccc2 | | InChi: | InChI=1S/C12H12N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17) | | Synonyms: | Phenobarbital | | Definition date: | 2020-05-27 | | Last modified: | 2021-03-01 | | Release date: | 2020-09-09 | | Identifier: | 5-ethyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione |
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 | | A02 | | Name: | (10R,20R,23R)-10-(4-aminobutyl)-1-[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-20,23-bis(3-carbamimidamidopropyl)-1,8,11,18,21-pentaoxo-2,9,12,19,22-pentaazatetracosan-24-amide | | Formula: | C40 H70 N18 O9 | | SMILES: | O=C(N)C(NC(=O)C(NC(=O)CCCCCNC(=O)C(NC(=O)CCCCCNC(=O)C3OC(n2cnc1c(ncnc12)N)C(O)C3O)CCCCN)CCCNC(=[N@H])N)CCCNC(=[N@H])N | | InChi: | InChI=1S/C40H70N18O9/c41-16-6-5-11-24(55-26(59)14-4-2-8-18-49-37(66)31-29(61)30(62)38(67-31)58-22-54-28-32(42)52-21-53-34(28)58)35(64)48-17-7-1-3-15-27(60)56-25(13-10-20-51-40(46)47)36(65)57-23(33(43)63)12-9-19-50-39(44)45/h21-25,29-31,38,61-62H,1-20,41H2,(H2,43,63)(H,48,64)(H,49,66)(H,55,59)(H,56,60)(H,57,65)(H2,42,52,53)(H4,44,45,50)(H4,46,47,51)/t23-,24-,25-,29+,30-,31+,38-/m1/s1 | | Synonyms: | ARC-1012 | | Definition date: | 2010-05-27 | | Last modified: | 2021-03-01 | | Identifier: | (10R,20R,23R)-10-(4-aminobutyl)-1-[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-20,23-bis(3-carbamimidamidopropyl)-1,8,11,18,21-pentaoxo-2,9,12,19,22-pentaazatetracosan-24-amide (non-preferred name) |
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 | | URD | | Name: | 1-((2R,3R,4S,5R)-TETRAHYDRO-3,4-DIHYDROXY-5-(HYDROXYMETHYL)FURAN-2-YL)PYRIDINE-2,4(1H,3H)-DIONE | | Formula: | C10 H13 N O6 | | SMILES: | O=C1C=CN(C(=O)C1)C2OC(C(O)C2O)CO | | InChi: | InChI=1S/C10H13NO6/c12-4-6-8(15)9(16)10(17-6)11-2-1-5(13)3-7(11)14/h1-2,6,8-10,12,15-16H,3-4H2/t6-,8-,9-,10-/m1/s1 | | Synonyms: | 3-DEAZAURIDINE | | Definition date: | 2005-04-08 | | Last modified: | 2021-03-01 | | Identifier: | 1-beta-D-ribofuranosylpyridine-2,4(1H,3H)-dione |
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 | | A15 | | Name: | 3'-3"-DICHLOROPHENOL-1,8-3H-BENZO[DE]ISOCHROMEN-1-ONE | | Formula: | C24 H14 Cl2 O4 | | SMILES: | Clc1c(O)ccc(c1)C4(OC(=O)c2c3c(ccc2)cccc34)c5ccc(O)c(Cl)c5 | | InChi: | InChI=1S/C24H14Cl2O4/c25-18-11-14(7-9-20(18)27)24(15-8-10-21(28)19(26)12-15)17-6-2-4-13-3-1-5-16(22(13)17)23(29)30-24/h1-12,27-28H | | Synonyms: | A156 | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | 3,3-bis(3-chloro-4-hydroxyphenyl)-1H,3H-benzo[de]isochromen-1-one |
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 | | A1F | | Name: | 1-(2-fluoro-4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide | | Formula: | C20 H23 F N2 O3 S | | SMILES: | c1(c(F)cc(C)cc1)CS(Nc3cc2CCC(N(CCC)c2cc3)=O)(=O)=O | | InChi: | InChI=1S/C20H23FN2O3S/c1-3-10-23-19-8-7-17(12-15(19)6-9-20(23)24)22-27(25,26)13-16-5-4-14(2)11-18(16)21/h4-5,7-8,11-12,22H,3,6,9-10,13H2,1-2H3 | | Synonyms: | AMF1alpha | | Definition date: | 2017-05-15 | | Last modified: | 2021-03-01 | | Release date: | 2017-11-15 | | Identifier: | 1-(2-fluoro-4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide |
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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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 | | 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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 | | A24 | | Name: | (3-NITRO-5-(2-MORPHOLIN-4-YL-ETHYLAMINOCARBONYL)PHENYL)-GALACTOPYRANOSIDE | | Formula: | C19 H27 N3 O10 | | SMILES: | [O-][N+](=O)c3cc(OC1OC(C(O)C(O)C1O)CO)cc(C(=O)NCCN2CCOCC2)c3 | | InChi: | InChI=1S/C19H27N3O10/c23-10-14-15(24)16(25)17(26)19(32-14)31-13-8-11(7-12(9-13)22(28)29)18(27)20-1-2-21-3-5-30-6-4-21/h7-9,14-17,19,23-26H,1-6,10H2,(H,20,27)/t14-,15+,16+,17-,19+/m1/s1 | | Synonyms: | BMSC-0011 | | Definition date: | 2001-08-16 | | Last modified: | 2021-03-01 | | Identifier: | 3-(alpha-D-galactopyranosyloxy)-N-(2-morpholin-4-ylethyl)-5-nitrobenzamide |
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 | | A26 | | Name: | (2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide | | Formula: | C12 H9 F3 N2 O2 | | SMILES: | O=C(Nc1ccc(cc1)C(F)(F)F)C(/C#N)=C(O)C | | InChi: | InChI=1S/C12H9F3N2O2/c1-7(18)10(6-16)11(19)17-9-4-2-8(3-5-9)12(13,14)15/h2-5,18H,1H3,(H,17,19)/b10-7- | | Synonyms: | ANTIPROLIFERATIVE AGENT A771726 | | Definition date: | 1999-10-01 | | Last modified: | 2021-03-01 | | Identifier: | (2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide |
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 | | A2D | | Name: | BIS{[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL} DIHYDROGEN DIPHOSPHATE | | Formula: | C20 H26 N10 O13 P2 | | SMILES: | O=P(O)(OCC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O | | InChi: | InChI=1S/C20H26N10O13P2/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(41-19)1-39-44(35,36)43-45(37,38)40-2-8-12(32)14(34)20(42-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1 | | Synonyms: | BIS(ADENOSINE)-5'-DIPHOSPHATE | | Definition date: | 2006-10-25 | | Last modified: | 2021-03-01 | | Identifier: | bis{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl} dihydrogen diphosphate (non-preferred name) |
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 | | A2F | | Name: | 2-fluoroadenine | | Formula: | C5 H4 F N5 | | SMILES: | Fc1nc(c2c(n1)ncn2)N | | InChi: | InChI=1S/C5H4FN5/c6-5-10-3(7)2-4(11-5)9-1-8-2/h1H,(H3,7,8,9,10,11) | | Synonyms: | 2-fluoro-7H-purin-6-amine | | Definition date: | 2009-02-20 | | Last modified: | 2021-03-01 | | Identifier: | 2-fluoro-7H-purin-6-amine |
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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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 | | A2N | | Name: | [(2R,3S,4R,5R)-4-(acetylamino)-3,5-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate | | Formula: | C17 H26 N6 O14 P2 | | SMILES: | O=C(NC1C(O)C(OC1O)COP(=O)(O)OP(=O)(OCC4OC(n2c3ncnc(N)c3nc2)C(O)C4O)O)C | | InChi: | InChI=1S/C17H26N6O14P2/c1-6(24)22-9-11(25)7(36-17(9)28)2-33-38(29,30)37-39(31,32)34-3-8-12(26)13(27)16(35-8)23-5-21-10-14(18)19-4-20-15(10)23/h4-5,7-9,11-13,16-17,25-28H,2-3H2,1H3,(H,22,24)(H,29,30)(H,31,32)(H2,18,19,20)/t7-,8-,9-,11-,12-,13-,16-,17-/m1/s1 | | Synonyms: | 2'-N-Acetyl ADP ribose | | Definition date: | 2010-11-16 | | Last modified: | 2021-03-01 | | Identifier: | [(2R,3S,4R,5R)-4-(acetylamino)-3,5-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
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 | | A2V | | Name: | 1-(3,5-difluoro-4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide | | Formula: | C20 H22 F2 N2 O3 S | | SMILES: | c1(cc(F)c(C)c(c1)F)CS(Nc3cc2CCC(N(CCC)c2cc3)=O)(=O)=O | | InChi: | InChI=1S/C20H22F2N2O3S/c1-3-8-24-19-6-5-16(11-15(19)4-7-20(24)25)23-28(26,27)12-14-9-17(21)13(2)18(22)10-14/h5-6,9-11,23H,3-4,7-8,12H2,1-2H3 | | Synonyms: | AMF2beta | | Definition date: | 2017-05-15 | | Last modified: | 2021-03-01 | | Release date: | 2017-11-15 | | Identifier: | 1-(3,5-difluoro-4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide |
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 | | A3W | | Name: | 5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine | | Formula: | C17 H20 F3 N7 O2 | | SMILES: | Nc1cc(c(cn1)c2nc(nc(n2)N3CCOCC3)N4CCOCC4)C(F)(F)F | | InChi: | InChI=1S/C17H20F3N7O2/c18-17(19,20)12-9-13(21)22-10-11(12)14-23-15(26-1-5-28-6-2-26)25-16(24-14)27-3-7-29-8-4-27/h9-10H,1-8H2,(H2,21,22) | | Synonyms: | PQR309 | | Definition date: | 2017-08-10 | | Last modified: | 2021-03-01 | | Release date: | 2017-09-06 | | Identifier: | 5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine |
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