 | | WZC | | Name: | (13ALPHA,14BETA,17ALPHA)-3-HYDROXY-2-METHOXYESTRA-1,3,5(10)-TRIEN-17-YL SULFAMATE | | Formula: | C19 H27 N O5 S | | SMILES: | O=S(=O)(OC4CCC3C2C(c1cc(OC)c(O)cc1CC2)CCC34C)N | | InChi: | InChI=1S/C19H27NO5S/c1-19-8-7-12-13(15(19)5-6-18(19)25-26(20,22)23)4-3-11-9-16(21)17(24-2)10-14(11)12/h9-10,12-13,15,18,21H,3-8H2,1-2H3,(H2,20,22,23)/t12-,13+,15-,18-,19-/m0/s1 | | Synonyms: | 2-METHOXYESTRADIOL 17-O-SULFAMATE | | Definition date: | 2009-11-23 | | Last modified: | 2021-03-01 | | Identifier: | (13alpha,14beta,17alpha)-3-hydroxy-2-methoxyestra-1,3,5(10)-trien-17-yl sulfamate |
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 | | NGO | | Name: | 2-METHYL-4,5-DIHYDRO-(1,2-DIDEOXY-ALPHA-D-GLUCOPYRANOSO)[2,1-D]-1,3-OXAZOLE | | Formula: | C8 H14 N O5 | | SMILES: | O1C(=[NH+]C2C(O)C(O)C(OC12)CO)C | | InChi: | InChI=1S/C8H13NO5/c1-3-9-5-7(12)6(11)4(2-10)14-8(5)13-3/h4-8,10-12H,2H2,1H3/p+1/t4-,5-,6-,7-,8+/m1/s1 | | Synonyms: | N-ACETYLGLUCOSAMINE-OXAZOLINIUM ION INTERMEDIATE | | Definition date: | 2000-08-25 | | Last modified: | 2021-03-01 | | Identifier: | (3aR,5R,6S,7R,7aR)-6,7-dihydroxy-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-1-ium |
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 | | SCK | | Name: | 2,2'-[(1,4-DIOXOBUTANE-1,4-DIYL)BIS(OXY)]BIS(N,N,N-TRIMETHYLETHANAMINIUM) | | Formula: | C14 H30 N2 O4 | | SMILES: | O=C(OCC[N+](C)(C)C)CCC(=O)OCC[N+](C)(C)C | | InChi: | InChI=1S/C14H30N2O4/c1-15(2,3)9-11-19-13(17)7-8-14(18)20-12-10-16(4,5)6/h7-12H2,1-6H3/q+2 | | Synonyms: | SUCCINYLDICHOLINE | | Definition date: | 2006-06-14 | | Last modified: | 2021-03-01 | | Identifier: | 2,2'-[(1,4-dioxobutane-1,4-diyl)bis(oxy)]bis(N,N,N-trimethylethanaminium) |
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 | | P4C | | Name: | O-ACETALDEHYDYL-HEXAETHYLENE GLYCOL | | Formula: | C14 H28 O8 | | SMILES: | O=CCOCCOCCOCCOCCOCCOCCO | | InChi: | InChI=1S/C14H28O8/c15-1-3-17-5-7-19-9-11-21-13-14-22-12-10-20-8-6-18-4-2-16/h1,16H,2-14H2 | | Synonyms: | POLYETHYLENE 400 | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | 20-hydroxy-3,6,9,12,15,18-hexaoxaicosan-1-al |
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 | | TM3 | | Name: | 2-[[6-[[[2-(3-hydroxypropyl)-5-methylphenyl]amino]methyl]-2-[[3-(4-morpholinyl)propyl]amino]-1H-benzimidazol-1-yl]methyl]-6-methyl-3-pyridinol | | Formula: | C32 H42 N6 O3 | | SMILES: | Cc1ccc(CCCO)c(NCc2ccc3nc(NCCCN4CCOCC4)n(Cc5nc(C)ccc5O)c3c2)c1 | | InChi: | InChI=1S/C32H42N6O3/c1-23-6-9-26(5-3-16-39)28(19-23)34-21-25-8-10-27-30(20-25)38(22-29-31(40)11-7-24(2)35-29)32(36-27)33-12-4-13-37-14-17-41-18-15-37/h6-11,19-20,34,39-40H,3-5,12-18,21-22H2,1-2H3,(H,33,36) | | Synonyms: | TMC353121 | | Definition date: | 2009-11-20 | | Last modified: | 2021-03-01 | | Identifier: | 2-[[6-[[[2-(3-hydroxypropyl)-5-methyl-phenyl]amino]methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methyl-pyridin-3-ol |
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 | | C4H | | Name: | N-[4-({[5-(DIMETHYLAMINO)-1-NAPHTHYL]SULFONYL}AMINO)BUTYL]-3-SULFANYLPROPANAMIDE | | Formula: | C19 H27 N3 O3 S2 | | SMILES: | O=C(NCCCCNS(=O)(=O)c1cccc2c1cccc2N(C)C)CCS | | InChi: | InChI=1S/C19H27N3O3S2/c1-22(2)17-9-5-8-16-15(17)7-6-10-18(16)27(24,25)21-13-4-3-12-20-19(23)11-14-26/h5-10,21,26H,3-4,11-14H2,1-2H3,(H,20,23) | | Synonyms: | N-[2-(5-DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO)BUTHYL]-3-MERCAPTOPROPIONAMIDE | | Definition date: | 2005-03-18 | | Last modified: | 2021-03-01 | | Identifier: | N-[4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)butyl]-3-sulfanylpropanamide |
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 | | LUF | | Name: | (5S)-4-[(3E,7E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohex-1-en-1-yl)deca-3,7-dien-1-yl]-5-hydroxyfuran-2(5H)-one | | Formula: | C25 H38 O3 | | SMILES: | O=C1OC(O)C(=C1)CC/C=C(C)CCC=C(/C)CCC2=C(C)CCCC2(C)C | | InChi: | InChI=1S/C25H38O3/c1-18(11-7-13-21-17-23(26)28-24(21)27)9-6-10-19(2)14-15-22-20(3)12-8-16-25(22,4)5/h10-11,17,24,27H,6-9,12-16H2,1-5H3/b18-11+,19-10+/t24-/m0/s1 | | Synonyms: | Luffariellolide | | Definition date: | 2012-02-21 | | Last modified: | 2021-03-01 | | Release date: | 2012-09-28 | | Identifier: | (5S)-4-[(3E,7E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohex-1-en-1-yl)deca-3,7-dien-1-yl]-5-hydroxyfuran-2(5H)-one |
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 | | T7M | | Name: | (2R)-1-(heptadecanoyloxy)-3-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate | | Formula: | C46 H82 O16 P2 | | SMILES: | O=C(OCC(OC(=O)CCCC=C/CC=C/CC=C/CC=C/CCCCC)COP(=O)(O)OC1C(O)C(O)C(OP(=O)(O)O)C(O)C1O)CCCCCCCCCCCCCCCC | | InChi: | InChI=1S/C46H82O16P2/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-40(48)60-38(36-58-39(47)34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2)37-59-64(56,57)62-46-43(51)41(49)45(42(50)44(46)52)61-63(53,54)55/h11,13,17,19,21,23,27,29,38,41-46,49-52H,3-10,12,14-16,18,20,22,24-26,28,30-37H2,1-2H3,(H,56,57)(H2,53,54,55)/b13-11-,19-17-,23-21-,29-27-/t38-,41-,42+,43-,44-,45+,46+/m1/s1 | | Synonyms: | Phosphatidylinositol-4-phosphate | | Definition date: | 2011-07-22 | | Last modified: | 2021-03-01 | | Identifier: | (2R)-1-(heptadecanoyloxy)-3-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate |
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 | | C4M | | Name: | N-[(2R,3S)-3-AMINO-2-HYDROXY-4-PHENYLBUTYL]-4-METHOXY-2,3,6-TRIMETHYLBENZENESULFONAMIDE | | Formula: | C20 H28 N2 O4 S | | SMILES: | O=S(=O)(c1c(cc(OC)c(c1C)C)C)NCC(O)C(N)Cc2ccccc2 | | InChi: | InChI=1S/C20H28N2O4S/c1-13-10-19(26-4)14(2)15(3)20(13)27(24,25)22-12-18(23)17(21)11-16-8-6-5-7-9-16/h5-10,17-18,22-23H,11-12,21H2,1-4H3/t17-,18+/m0/s1 | | Synonyms: | INHIBITOR OF THROMBIN | | Definition date: | 2005-12-09 | | Last modified: | 2021-03-01 | | Identifier: | N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide |
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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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 | | AXM | | Name: | N-hydroxy-2-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]acetamide | | Formula: | C12 H19 N O2 | | SMILES: | O=C(NO)CC13CC2CC(CC(C1)C2)C3 | | InChi: | InChI=1S/C12H19NO2/c14-11(13-15)7-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10,15H,1-7H2,(H,13,14)/t8-,9+,10-,12- | | Synonyms: | Adamantane acetic acid hydroxamate | | Definition date: | 2012-10-05 | | Last modified: | 2021-03-01 | | Release date: | 2013-01-18 | | Identifier: | N-hydroxy-2-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]acetamide |
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 | | P6G | | Name: | HEXAETHYLENE GLYCOL | | Formula: | C12 H26 O7 | | SMILES: | O(CCO)CCOCCOCCOCCOCCO | | InChi: | InChI=1S/C12H26O7/c13-1-3-15-5-7-17-9-11-19-12-10-18-8-6-16-4-2-14/h13-14H,1-12H2 | | Synonyms: | POLYETHYLENE GLYCOL PEG400 | | Definition date: | 2000-11-29 | | Last modified: | 2021-03-01 | | Identifier: | 3,6,9,12,15-pentaoxaheptadecane-1,17-diol |
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 | | TMC | | Name: | 1-[4-HYDROXY-5-(HYDROXYMETHYL)BICYCLO[3.1.0]HEX-2-YL]-5-METHYLPYRIMIDINE-2,4(1H,3H)-DIONE | | Formula: | C12 H16 N2 O4 | | SMILES: | O=C1C(=CN(C(=O)N1)C3C2C(CO)(C2)C(O)C3)C | | InChi: | InChI=1S/C12H16N2O4/c1-6-4-14(11(18)13-10(6)17)8-2-9(16)12(5-15)3-7(8)12/h4,7-9,15-16H,2-3,5H2,1H3,(H,13,17,18)/t7-,8+,9+,12+/m1/s1 | | Synonyms: | (N)-METHANOCARBA-THYMIDINE | | Definition date: | 2000-05-24 | | Last modified: | 2021-03-01 | | Identifier: | 1-[(1S,2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)bicyclo[3.1.0]hex-2-yl]-5-methylpyrimidine-2,4(1H,3H)-dione |
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 | | T6A | | Name: | N-[N-(9-B-D-RIBOFURANOSYLPURIN-6-YL)CARBAMOYL]THREONINE-5'-MONOPHOSPHATE | | Formula: | C15 H21 N6 O11 P | | SMILES: | O=C(O)C(NC(=O)Nc3ncnc1c3ncn1C2OC(C(O)C2O)COP(=O)(O)O)C(O)C | | InChi: | InChI=1S/C15H21N6O11P/c1-5(22)7(14(25)26)19-15(27)20-11-8-12(17-3-16-11)21(4-18-8)13-10(24)9(23)6(32-13)2-31-33(28,29)30/h3-7,9-10,13,22-24H,2H2,1H3,(H,25,26)(H2,28,29,30)(H2,16,17,19,20,27)/t5-,6-,7+,9-,10-,13-/m1/s1 | | Synonyms: | N-(NEBULARIN-6-YLCARBAMOYL)-L-THREONINE-5'-MONOPHOSPHATE | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | (2S,3R)-2-{[(9-{(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}-9H-purin-6-yl)carbamoyl]amino}-3-hydroxybutanoic acid (non-preferred name) |
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 | | SCV | | Name: | N6-[(1S)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-1-(MERCAPTOCARBONYL)-2-OXOETHYL]-6-OXO-L-LYSINE | | Formula: | C14 H22 N2 O8 S | | SMILES: | O=C(OC(C(=O)O)C(C)C)C(NC(=O)CCCC(C(=O)O)N)C(=O)S | | InChi: | InChI=1S/C14H22N2O8S/c1-6(2)10(12(20)21)24-13(22)9(14(23)25)16-8(17)5-3-4-7(15)11(18)19/h6-7,9-10H,3-5,15H2,1-2H3,(H,16,17)(H,18,19)(H,20,21)(H,23,25)/t7-,9+,10+/m0/s1 | | Synonyms: | L-D-(A-AMINOADIPOYL)-L-(B-OXO)-CYSTEINE | | Definition date: | 2001-04-20 | | Last modified: | 2021-03-01 | | Identifier: | N~6~-[(1R)-2-{[(1R)-1-carboxy-2-methylpropyl]oxy}-2-oxo-1-(sulfanylcarbonyl)ethyl]-6-oxo-L-lysine |
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 | | LUR | | Name: | {2-[(2-chloro-6-fluorophenyl)amino]-5-methylphenyl}acetic acid | | Formula: | C15 H13 Cl F N O2 | | SMILES: | Clc2cccc(F)c2Nc1ccc(cc1CC(=O)O)C | | InChi: | InChI=1S/C15H13ClFNO2/c1-9-5-6-13(10(7-9)8-14(19)20)18-15-11(16)3-2-4-12(15)17/h2-7,18H,8H2,1H3,(H,19,20) | | Synonyms: | Lumiracoxib | | Definition date: | 2012-12-26 | | Last modified: | 2021-03-01 | | Release date: | 2013-01-25 | | Identifier: | {2-[(2-chloro-6-fluorophenyl)amino]-5-methylphenyl}acetic acid |
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 | | T6F | | Name: | 2-C-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium-2-yl}-6-O-phosphono-D-glucitol | | Formula: | C18 H32 N4 O16 P3 S | | SMILES: | O=P(O)(O)OCC(O)C(O)C(O)C(O)(c1sc(c([n+]1Cc2cnc(nc2N)C)C)CCOP(=O)(O)OP(=O)(O)O)CO | | InChi: | InChI=1S/C18H31N4O16P3S/c1-9-13(3-4-36-41(34,35)38-40(31,32)33)42-17(22(9)6-11-5-20-10(2)21-16(11)19)18(27,8-23)15(26)14(25)12(24)7-37-39(28,29)30/h5,12,14-15,23-27H,3-4,6-8H2,1-2H3,(H6-,19,20,21,28,29,30,31,32,33,34,35)/p+1/t12-,14-,15+,18+/m1/s1 | | Synonyms: | D-FRUCTOSE-6-PHOSPHATE THIAMIN DIPHOSPHATE ADDUCT | | Definition date: | 2007-10-26 | | Last modified: | 2021-03-01 | | Identifier: | 2-C-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium-2-yl}-6-O-phosphono-D-glucitol |
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 | | NHC | | Name: | (1R,2S,3R,4S)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid | | Formula: | C10 H14 O5 | | SMILES: | O=C(O)C1(C(C(=O)O)(C)C2OC1CC2)C | | InChi: | InChI=1S/C10H14O5/c1-9(7(11)12)5-3-4-6(15-5)10(9,2)8(13)14/h5-6H,3-4H2,1-2H3,(H,11,12)(H,13,14)/t5-,6+,9+,10- | | Synonyms: | Cantharidic acid | | Definition date: | 2009-05-07 | | Last modified: | 2021-03-01 | | Identifier: | (1R,2S,3R,4S)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid |
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 | | NHL | | Name: | (4S)-4-(2-NAPHTHYLMETHYL)-D-GLUTAMIC ACID | | Formula: | C16 H17 N O4 | | SMILES: | O=C(O)C(N)CC(C(=O)O)Cc2ccc1c(cccc1)c2 | | InChi: | InChI=1S/C16H17NO4/c17-14(16(20)21)9-13(15(18)19)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,13-14H,8-9,17H2,(H,18,19)(H,20,21)/t13-,14+/m0/s1 | | Synonyms: | GAMMA-2-NAPHTHYLMETHYL-D-GLUTAMIC ACID | | Definition date: | 2007-01-18 | | Last modified: | 2021-03-01 | | Identifier: | (4S)-4-(naphthalen-2-ylmethyl)-D-glutamic acid |
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 | | R6D | | Name: | 6-(6-aminopyrazin-2-yl)-N-{4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl}imidazo[1,2-a]pyrazin-8-amine | | Formula: | C23 H25 N9 O | | SMILES: | c1(nc(c2nccn2c1)Nc5ccc(N3CCN(CC3)C4COC4)cc5)c6cncc(n6)N | | InChi: | InChI=1S/C23H25N9O/c24-21-12-25-11-19(28-21)20-13-32-6-5-26-23(32)22(29-20)27-16-1-3-17(4-2-16)30-7-9-31(10-8-30)18-14-33-15-18/h1-6,11-13,18H,7-10,14-15H2,(H2,24,28)(H,27,29) | | Synonyms: | GS-9876 | | Definition date: | 2020-02-03 | | Last modified: | 2021-03-01 | | Release date: | 2020-03-11 | | Identifier: | 6-(6-aminopyrazin-2-yl)-N-{4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl}imidazo[1,2-a]pyrazin-8-amine |
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 | | SE8 | | Name: | 5-[(2-{[(3S)-5-{[(2S)-2-amino-2-carboxyethyl]amino}-3-carboxy-3-hydroxy-5-oxopentanoyl]amino}ethyl)amino]-2,5-dioxopentanoic acid | | Formula: | C16 H24 N4 O11 | | SMILES: | O=C(NCC(C(=O)O)N)CC(O)(C(=O)O)CC(=O)NCCNC(=O)CCC(=O)C(=O)O | | InChi: | InChI=1S/C16H24N4O11/c17-8(13(25)26)7-20-12(24)6-16(31,15(29)30)5-11(23)19-4-3-18-10(22)2-1-9(21)14(27)28/h8,31H,1-7,17H2,(H,18,22)(H,19,23)(H,20,24)(H,25,26)(H,27,28)(H,29,30)/t8-,16-/m0/s1 | | Synonyms: | Staphyloferrin B | | Definition date: | 2010-05-14 | | Last modified: | 2021-03-01 | | Identifier: | 5-[(2-{[(3S)-5-{[(2S)-2-amino-2-carboxyethyl]amino}-3-carboxy-3-hydroxy-5-oxopentanoyl]amino}ethyl)amino]-2,5-dioxopentanoic acid |
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 | | AY6 | | Name: | 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide | | Formula: | C22 H21 Cl3 N4 O | | SMILES: | n2(c(c(C)c(C(=O)NN1CCCCC1)n2)c3ccc(cc3)Cl)c4c(Cl)cc(cc4)Cl | | InChi: | InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30) | | Synonyms: | Rimonabant | | Definition date: | 2018-12-05 | | Last modified: | 2021-03-01 | | Release date: | 2018-12-26 | | Identifier: | 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide |
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 | | AYB | | Name: | 5'-O-[(S)-({(2S)-2-amino-6-[(propoxycarbonyl)amino]hexanoyl}oxy)(hydroxy)phosphoryl]adenosine | | Formula: | C20 H32 N7 O10 P | | SMILES: | O=C(OCCC)NCCCCC(N)C(=O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O | | InChi: | InChI=1S/C20H32N7O10P/c1-2-7-34-20(31)23-6-4-3-5-11(21)19(30)37-38(32,33)35-8-12-14(28)15(29)18(36-12)27-10-26-13-16(22)24-9-25-17(13)27/h9-12,14-15,18,28-29H,2-8,21H2,1H3,(H,23,31)(H,32,33)(H2,22,24,25)/t11-,12+,14+,15+,18+/m0/s1 | | Synonyms: | NE-ALLYLOXYCARBONYL-L-LYSINE-5'-ADENOSINE MONOPHOSPHATE | | Definition date: | 2008-02-20 | | Last modified: | 2021-03-01 | | Identifier: | 5'-O-[(S)-({(2S)-2-amino-6-[(propoxycarbonyl)amino]hexanoyl}oxy)(hydroxy)phosphoryl]adenosine |
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 | | P5B | | Name: | N-(ETHYLSULFONYL)TRYPTOPHYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}GLUTAMAMIDE | | Formula: | C26 H33 N7 O5 S | | SMILES: | O=C(NCc1ccc(C(=[N@H])N)cc1)C(NC(=O)C(NS(=O)(=O)CC)Cc3c2ccccc2nc3)CCC(=O)N | | InChi: | InChI=1S/C26H33N7O5S/c1-2-39(37,38)33-22(13-18-15-30-20-6-4-3-5-19(18)20)26(36)32-21(11-12-23(27)34)25(35)31-14-16-7-9-17(10-8-16)24(28)29/h3-10,15,21-22,30,33H,2,11-14H2,1H3,(H2,27,34)(H3,28,29)(H,31,35)(H,32,36)/t21-,22+/m0/s1 | | Synonyms: | 2-[2-ETHANESULFONYLAMINO-3-(1H-INDOL-3-YL)-PROPIONYLAMINO]-PENTANEDIOIC ACID 5-AMIDE 1-(4-CARBAMIM IDOYL-BENZYLAMIDE) | | Definition date: | 2004-12-15 | | Last modified: | 2021-03-01 | | Identifier: | N-(ethylsulfonyl)-D-tryptophyl-N~1~-(4-carbamimidoylbenzyl)-L-glutamamide |
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 | | PYI | | Name: | 1-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-3-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-2-METHYLPYRIDINIUM | | Formula: | C14 H21 N4 O7 P2 | | SMILES: | O=P(O)(O)OP(=O)(O)OCCc1ccc[n+](c1C)Cc2cnc(nc2N)C | | InChi: | InChI=1S/C14H20N4O7P2/c1-10-12(5-7-24-27(22,23)25-26(19,20)21)4-3-6-18(10)9-13-8-16-11(2)17-14(13)15/h3-4,6,8H,5,7,9H2,1-2H3,(H4-,15,16,17,19,20,21,22,23)/p+1 | | Synonyms: | PYRITHIAMIN PYROPHOSPHATE | | Definition date: | 2005-11-17 | | Last modified: | 2021-03-01 | | Identifier: | 1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2-methylpyridinium |
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