 | | P33 | | Name: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL | | Formula: | C14 H30 O8 | | SMILES: | O(CCOCCO)CCOCCOCCOCCOCCO | | InChi: | InChI=1S/C14H30O8/c15-1-3-17-5-7-19-9-11-21-13-14-22-12-10-20-8-6-18-4-2-16/h15-16H,1-14H2 | | Synonyms: | HEPTAETHYLENE GLYCOL | | Definition date: | 2003-04-09 | | Last modified: | 2020-05-27 | | Identifier: | 3,6,9,12,15,18-hexaoxaicosane-1,20-diol |
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 | | PAR | | Name: | PAROMOMYCIN | | Formula: | C23 H45 N5 O14 | | SMILES: | O(C2C(OC1OC(CO)C(O)C(O)C1N)C(N)CC(N)C2O)C4OC(C(OC3OC(CN)C(O)C(O)C3N)C4O)CO | | InChi: | InChI=1S/C23H45N5O14/c24-2-7-13(32)15(34)10(27)21(37-7)41-19-9(4-30)39-23(17(19)36)42-20-12(31)5(25)1-6(26)18(20)40-22-11(28)16(35)14(33)8(3-29)38-22/h5-23,29-36H,1-4,24-28H2/t5-,6+,7+,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1 | | Synonyms: | PAROMOMYCIN I | | Definition date: | 2000-08-25 | | Last modified: | 2020-05-27 | | Identifier: | (1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-alpha-D-glucopyranoside |
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 | | PE5 | | Name: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL | | Formula: | C18 H38 O9 | | SMILES: | O(CCOCCOCC)CCOCCOCCOCCOCCOCCO | | InChi: | InChI=1S/C18H38O9/c1-2-20-5-6-22-9-10-24-13-14-26-17-18-27-16-15-25-12-11-23-8-7-21-4-3-19/h19H,2-18H2,1H3 | | Synonyms: | 2-(2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL | | Definition date: | 2004-07-22 | | Last modified: | 2020-05-27 | | Identifier: | 3,6,9,12,15,18,21,24-octaoxahexacosan-1-ol |
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 | | PEK | | Name: | (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE | | Formula: | C43 H78 N O8 P | | SMILES: | O=C(OCC(OC(=O)CCCC=C/CC=C/CC=C/CC=C/CCCCC)COP(=O)(OCCN)O)CCCCCCCCCCCCCCCCC | | InChi: | InChI=1S/C43H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,28,30,41H,3-10,12,14-16,18,20-21,23,25-27,29,31-40,44H2,1-2H3,(H,47,48)/b13-11-,19-17-,24-22-,30-28-/t41-/m1/s1 | | Synonyms: | PHOSPHATIDYLETHANOLAMINE | | Definition date: | 2003-12-02 | | Last modified: | 2020-05-27 | | Identifier: | (1R)-2-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate |
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 | | PGV | | Name: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE | | Formula: | C40 H77 O10 P | | SMILES: | O=C(OC(COP(=O)(OCC(O)CO)O)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCC=C/CCCCCC | | InChi: | InChI=1S/C40H77O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h13,15,37-38,41-42H,3-12,14,16-36H2,1-2H3,(H,45,46)/b15-13-/t37-,38+/m0/s1 | | Synonyms: | PHOSPHATIDYLGLYCEROL | | Definition date: | 2003-12-02 | | Last modified: | 2020-05-27 | | Identifier: | (1R)-2-{[(R)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (11Z)-octadec-11-enoate |
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 | | PIF | | Name: | (2R)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate | | Formula: | C25 H48 O16 P2 | | SMILES: | O=C(OCC(OC(=O)CCCCCCC)COP(=O)(O)OC1C(O)C(O)C(OP(=O)(O)O)C(O)C1O)CCCCCCC | | InChi: | InChI=1S/C25H48O16P2/c1-3-5-7-9-11-13-18(26)37-15-17(39-19(27)14-12-10-8-6-4-2)16-38-43(35,36)41-25-22(30)20(28)24(21(29)23(25)31)40-42(32,33)34/h17,20-25,28-31H,3-16H2,1-2H3,(H,35,36)(H2,32,33,34)/t17-,20-,21+,22-,23-,24+,25+/m1/s1 | | Synonyms: | L-ALPHA-D-MYOPHOSPHATIDYLINOSITOL 4-PHOSPHATE | | Definition date: | 2010-05-11 | | Last modified: | 2020-05-27 | | Identifier: | (2R)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate |
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 | | PMH | | Name: | (5-HYDROXY-4-{[(3-HYDROXYISOXAZOL-4-YL)AMINO]METHYL}-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE | | Formula: | C11 H14 N3 O7 P | | SMILES: | O=P(O)(O)OCc1c(c(O)c(nc1)C)CNc2conc2O | | InChi: | InChI=1S/C11H14N3O7P/c1-6-10(15)8(3-13-9-5-20-14-11(9)16)7(2-12-6)4-21-22(17,18)19/h2,5,13,15H,3-4H2,1H3,(H,14,16)(H2,17,18,19) | | Synonyms: | PMP-HYDROXYISOXAZOLE | | Definition date: | 2004-10-27 | | Last modified: | 2020-05-27 | | Identifier: | (5-hydroxy-4-{[(3-hydroxyisoxazol-4-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate |
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 | | POG | | Name: | (20S)-2,5,8,11,14,17-HEXAMETHYL-3,6,9,12,15,18-HEXAOXAHENICOSANE-1,20-DIOL | | Formula: | C21 H44 O8 | | SMILES: | O(CC(O)C)C(COC(C)COC(C)COC(C)COC(C)COC(C)CO)C | | InChi: | InChI=1S/C21H44O8/c1-15(23)9-24-17(3)11-26-19(5)13-28-21(7)14-29-20(6)12-27-18(4)10-25-16(2)8-22/h15-23H,8-14H2,1-7H3/t15-,16?,17?,18?,19?,20?,21?/m1/s1 | | Synonyms: | POLYPROPYLENE GLYCOL | | Definition date: | 2004-09-01 | | Last modified: | 2020-05-27 | | Identifier: | (20R)-2,5,8,11,14,17-hexamethyl-3,6,9,12,15,18-hexaoxahenicosane-1,20-diol |
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 | | WM1 | | Name: | pyridine-2-carboxamide | | Formula: | C6 H6 N2 O | | SMILES: | O=C(N)c1ncccc1 | | InChi: | InChI=1S/C6H6N2O/c7-6(9)5-3-1-2-4-8-5/h1-4H,(H2,7,9) | | Synonyms: | Picolinamide | | Definition date: | 2013-10-16 | | Last modified: | 2020-05-26 | | Release date: | 2015-08-12 | | Identifier: | pyridine-2-carboxamide |
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 | | XTS | | Name: | 9-[(2R,3R,4S,5R)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)OXOLAN-2-YL]-3H-PURINE-2,6-DIONE | | Formula: | C10 H12 N4 O6 | | SMILES: | O=C3Nc1c(ncn1C2OC(C(O)C2O)CO)C(=O)N3 | | InChi: | InChI=1S/C10H12N4O6/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19)/t3-,5-,6-,9+/m1/s1 | | Synonyms: | XANTHOSINE | | Definition date: | 2007-03-02 | | Last modified: | 2020-05-26 | | Identifier: | xanthosine |
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 | | YMP | | Name: | O-(ADENOSINE-5'-O-YL)-N-(L-TYROSYL)PHOSPHORAMIDATE | | Formula: | C19 H24 N7 O8 P | | SMILES: | O=C(NP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)Cc4ccc(O)cc4 | | InChi: | InChI=1S/C19H24N7O8P/c20-11(5-9-1-3-10(27)4-2-9)18(30)25-35(31,32)33-6-12-14(28)15(29)19(34-12)26-8-24-13-16(21)22-7-23-17(13)26/h1-4,7-8,11-12,14-15,19,27-29H,5-6,20H2,(H2,21,22,23)(H2,25,30,31,32)/t11-,12+,14+,15+,19+/m0/s1 | | Synonyms: | TYROSYL-ADENYLATE ANALOGUE | | Definition date: | 2006-05-02 | | Last modified: | 2020-05-26 | | Identifier: | 5'-O-[(S)-hydroxy(L-tyrosylamino)phosphoryl]adenosine |
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 | | VJK | | Name: | (2R)-2-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-[2,2,2-tris(fluoranyl)ethyl]butanamide | | Formula: | C18 H19 F3 N6 O | | SMILES: | C(C(Nc1ccnc(n1)c2cnc3c2cccn3)(C)C(NCC(F)(F)F)=O)C | | InChi: | InChI=1S/C18H19F3N6O/c1-3-17(2,16(28)25-10-18(19,20)21)27-13-6-8-23-15(26-13)12-9-24-14-11(12)5-4-7-22-14/h4-9H,3,10H2,1-2H3,(H,22,24)(H,25,28)(H,23,26,27)/t17-/m1/s1 | | Synonyms: | Decernotinib | | Definition date: | 2015-03-20 | | Last modified: | 2020-05-26 | | Release date: | 2015-08-12 | | Identifier: | N~2~-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)-D-isovalinamide |
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 | | URP | | Name: | N-(AMINOCARBONYL)-BETA-ALANINE | | Formula: | C4 H8 N2 O3 | | SMILES: | O=C(O)CCNC(=O)N | | InChi: | InChI=1S/C4H8N2O3/c5-4(9)6-2-1-3(7)8/h1-2H2,(H,7,8)(H3,5,6,9) | | Synonyms: | N-CARBAMYL-BETA-ALANINE | | Definition date: | 2006-02-06 | | Last modified: | 2020-05-26 | | Identifier: | N-carbamoyl-beta-alanine |
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 | | VM1 | | Name: | 5-(2-thienyl)nicotinic acid | | Formula: | C10 H7 N O2 S | | SMILES: | O=C(O)c2cncc(c1sccc1)c2 | | InChi: | InChI=1S/C10H7NO2S/c12-10(13)8-4-7(5-11-6-8)9-2-1-3-14-9/h1-6H,(H,12,13) | | Synonyms: | 5-thiophen-2-ylpyridine-3-carboxylic acid | | Definition date: | 2009-09-18 | | Last modified: | 2020-05-26 | | Identifier: | 5-(thiophen-2-yl)pyridine-3-carboxylic acid |
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 | | WIN | | Name: | methyl (5beta,7alpha,9beta,10alpha,11alpha,12alpha,13beta,15alpha)-15-{[(2E)-3,4-dimethylpent-2-enoyl]oxy}-3,11,12-trihydroxy-2,16-dioxo-13,20-epoxypicras-3-en-21-oate | | Formula: | C28 H36 O11 | | SMILES: | O=C(OC)C15OCC24C1C(OC(=O)C=C(/C)C(C)C)C(=O)OC2CC3C(=C(O)C(=O)CC3(C)C4C(O)C5O)C | | InChi: | InChI=1S/C28H36O11/c1-11(2)12(3)7-17(30)39-20-22-27-10-37-28(22,25(35)36-6)23(33)19(32)21(27)26(5)9-15(29)18(31)13(4)14(26)8-16(27)38-24(20)34/h7,11,14,16,19-23,31-33H,8-10H2,1-6H3/b12-7+/t14-,16+,19+,20+,21+,22+,23-,26-,27+,28-/m0/s1 | | Synonyms: | Bruceantin | | Definition date: | 2009-02-16 | | Last modified: | 2020-05-26 | | Identifier: | methyl (5beta,7alpha,9beta,10alpha,11alpha,12alpha,13beta,15alpha)-15-{[(2E)-3,4-dimethylpent-2-enoyl]oxy}-3,11,12-trihydroxy-2,16-dioxo-13,20-epoxypicras-3-en-21-oate |
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 | | B41 | | Name: | (2S)-1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine | | Formula: | C11 H15 N O2 | | SMILES: | O1c2ccc(cc2OC1)CC(NC)C | | InChi: | InChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3/t8-/m0/s1 | | Synonyms: | 3,4 methylenedioxy-n-methylamphetamine | | Definition date: | 2009-03-18 | | Last modified: | 2020-05-26 | | Identifier: | (2S)-1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine |
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 | | 69Q | | Name: | 2-methyl-1-[(4-[6-(trifluoromethyl)pyridin-2-yl]-6-{[2-(trifluoromethyl)pyridin-4-yl]amino}-1,3,5-triazin-2-yl)amino]propan-2-ol | | Formula: | C19 H17 F6 N7 O | | SMILES: | c3(cccc(c1nc(NCC(O)(C)C)nc(n1)Nc2cc(ncc2)C(F)(F)F)n3)C(F)(F)F | | InChi: | InChI=1S/C19H17F6N7O/c1-17(2,33)9-27-15-30-14(11-4-3-5-12(29-11)18(20,21)22)31-16(32-15)28-10-6-7-26-13(8-10)19(23,24)25/h3-8,33H,9H2,1-2H3,(H2,26,27,28,30,31,32) | | Synonyms: | Enasidenib | | Definition date: | 2016-02-22 | | Last modified: | 2020-05-26 | | Release date: | 2017-03-08 | | Identifier: | 2-methyl-1-[(4-[6-(trifluoromethyl)pyridin-2-yl]-6-{[2-(trifluoromethyl)pyridin-4-yl]amino}-1,3,5-triazin-2-yl)amino]propan-2-ol |
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 | | 6CM | | Name: | N-((E,2S,3R)-1,3-DIHYDROXYOCTADEC-4-EN-2-YL)HEXANAMIDE | | Formula: | C24 H47 N O3 | | SMILES: | O=C(NC(CO)C(O)/C=C/CCCCCCCCCCCCC)CCCCC | | InChi: | InChI=1S/C24H47NO3/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-19-23(27)22(21-26)25-24(28)20-17-6-4-2/h18-19,22-23,26-27H,3-17,20-21H2,1-2H3,(H,25,28)/b19-18+/t22-,23+/m0/s1 | | Synonyms: | C6-CERAMIDE | | Definition date: | 2005-11-28 | | Last modified: | 2020-05-26 | | Identifier: | N-[(1S,2R,3E)-2-hydroxy-1-(hydroxymethyl)heptadec-3-en-1-yl]hexanamide |
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 | | 70E | | Name: | 6-O-[(2R,3R)-3-hydroxy-2-tetradecyldocosanoyl]-alpha-L-idopyranose | | Formula: | C42 H82 O8 | | SMILES: | C(OCC1C(C(C(C(O)O1)O)O)O)(C(C(O)CCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCC)=O | | InChi: | InChI=1S/C42H82O8/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-36(43)35(32-30-28-26-24-22-16-14-12-10-8-6-4-2)41(47)49-34-37-38(44)39(45)40(46)42(48)50-37/h35-40,42-46,48H,3-34H2,1-2H3/t35-,36-,37+,38-,39+,40-,42-/m1/s1 | | Synonyms: | C36 GLUCOSE MONOMYCOLATE | | Definition date: | 2016-08-04 | | Last modified: | 2020-05-26 | | Release date: | 2016-11-16 | | Identifier: | 6-O-[(2R,3R)-3-hydroxy-2-tetradecyldocosanoyl]-alpha-L-idopyranose |
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 | | 72B | | Name: | [(amino-kappaN)methanethiolato](3-fluoro-9-methoxypyrido[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H,12H)-dionato-kappa~2~N,N')(N-methyl-1,4,7-trithiecan-9-amine-kappa~3~S~1~,S~4~,S~7~)ruthenium | | Formula: | C27 H29 F N5 O3 Ru S4 | | SMILES: | O=C1c3c(C(=O)N1)c2cc(F)cn9c2c5c3c4cc(OC)ccc4n5[Ru]798(NCS)S6CCS8CC(NC)CS7CC6 | | InChi: | InChI=1S/C18H10FN3O3.C8H17NS3.CH4NS.Ru/c1-25-8-2-3-11-9(5-8)12-14-13(17(23)22-18(14)24)10-4-7(19)6-20-15(10)16(12)21-11 | | Synonyms: | (3-fluoro-9-methoxypyrido[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H,12H)-dionato)(N-methyl-1,4,7-trithiacyclodecan-9-amine)ruthenium(II)-isothiocyanate | | Definition date: | 2014-12-21 | | Last modified: | 2020-05-26 | | Release date: | 2015-01-21 | | Identifier: | [(amino-kappaN)methanethiolato](3-fluoro-9-methoxypyrido[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H,12H)-dionato-kappa~2~N,N')(N-methyl-1,4,7-trithiecan-9-amine-kappa~3~S~1~,S~4~,S~7~)ruthenium |
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 | | 794 | | Name: | 2-[(CARBOXYCARBONYL)(1-NAPHTHYL)AMINO]BENZOIC ACID | | Formula: | C19 H13 N O5 | | SMILES: | O=C(N(c2c1ccccc1ccc2)c3ccccc3C(=O)O)C(=O)O | | InChi: | InChI=1S/C19H13NO5/c21-17(19(24)25)20(16-10-4-3-9-14(16)18(22)23)15-11-5-7-12-6-1-2-8-13(12)15/h1-11H,(H,22,23)(H,24,25) | | Synonyms: | COMPOUND 5 | | Definition date: | 2003-01-30 | | Last modified: | 2020-05-26 | | Identifier: | 2-[(carboxycarbonyl)(naphthalen-1-yl)amino]benzoic acid |
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 | | A0D | | Name: | N-adamantan-2-yl-1-ethyl-D-prolinamide | | Formula: | C17 H28 N2 O | | SMILES: | O=C(NC3C1CC2CC(C1)CC3C2)C4N(CC)CCC4 | | InChi: | InChI=1S/C17H28N2O/c1-2-19-5-3-4-15(19)17(20)18-16-13-7-11-6-12(9-13)10-14(16)8-11/h11-16H,2-10H2,1H3,(H,18,20)/t11-,12+,13-,14+,15-,16-/m1/s1 | | Synonyms: | PF-877423 | | Definition date: | 2011-04-19 | | Last modified: | 2020-05-26 | | Identifier: | 1-ethyl-N-[(1R,3S,5R,7R)-tricyclo[3.3.1.1~3,7~]dec-2-yl]-D-prolinamide |
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 | | A3B | | Name: | D-VINYLGLYCINE | | Formula: | C4 H7 N O2 | | SMILES: | [O-]C(=O)C(C=C)[NH3+] | | InChi: | InChI=1S/C4H7NO2/c1-2-3(5)4(6)7/h2-3H,1,5H2,(H,6,7)/t3-/m1/s1 | | Synonyms: | 2-AMMONIOBUT-3-ENOATE | | Definition date: | 2004-08-29 | | Last modified: | 2020-05-26 | | Identifier: | (2R)-2-ammoniobut-3-enoate |
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 | | 89F | | Name: | 1-methyl-4-[(5~{S})-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine | | Formula: | C20 H24 N2 S2 | | SMILES: | CSc1ccc2Sc3ccccc3C[CH](N4CCN(C)CC4)c2c1 | | InChi: | InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3/t18-/m0/s1 | | Synonyms: | Methiothepin | | Definition date: | 2017-05-19 | | Last modified: | 2020-05-26 | | Release date: | 2018-02-07 | | Identifier: | 1-methyl-4-[(5~{S})-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine |
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 | | 8CB | | Name: | (1'R,2'R)-4,5'-dimethyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,6-diol | | Formula: | C17 H22 O2 | | SMILES: | Oc2c(C1C(CCC(=C1)C)/C(C)=C)c(O)cc(c2)C | | InChi: | InChI=1S/C17H22O2/c1-10(2)13-6-5-11(3)7-14(13)17-15(18)8-12(4)9-16(17)19/h7-9,13-14,18-19H,1,5-6H2,2-4H3/t13-,14+/m0/s1 | | Synonyms: | cannabidiorcin | | Definition date: | 2018-07-26 | | Last modified: | 2020-05-26 | | Release date: | 2019-02-13 | | Identifier: | (1'R,2'R)-4,5'-dimethyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,6-diol |
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