 | MF8 | Name: | Metformin | Formula: | C4 H11 N5 | SMILES: | CN(C)C(=N)NC(N)=N | InChi: | InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8) | Synonyms: | N,N-Dimethylimidodicarbonimidic diamide | Definition date: | 2016-05-25 | Last modified: | 2020-06-17 | Release date: | 2017-06-07 | Identifier: | 3-carbamimidoyl-1,1-dimethyl-guanidine |
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 | 2ZO | Name: | N,N,N-trimethyl-4-oxobutan-1-aminium | Formula: | C7 H16 N O | SMILES: | O=CCCC[N+](C)(C)C | InChi: | InChI=1S/C7H16NO/c1-8(2,3)6-4-5-7-9/h7H,4-6H2,1-3H3/q+1 | Synonyms: | 4-N-trimethylaminobutyraldehyde | Definition date: | 2014-05-01 | Last modified: | 2020-06-17 | Release date: | 2014-05-21 | Identifier: | N,N,N-trimethyl-4-oxobutan-1-aminium |
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 | 308 | Name: | (3S,5S,7S)-tricyclo[3.3.1.1~3,7~]decan-1-amine | Formula: | C10 H17 N | SMILES: | NC12CC3CC(C1)CC(C2)C3 | InChi: | InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2/t7-,8+,9-,10- | Synonyms: | Amantadine | Definition date: | 2008-02-21 | Last modified: | 2020-06-17 | Identifier: | (3S,5S,7S)-tricyclo[3.3.1.1~3,7~]decan-1-amine |
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 | MG9 | Name: | 2-{4-[(2S)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol | Formula: | C21 H20 F6 N4 O3 S | SMILES: | O=S(=O)(c1ccc(nc1)N)N3CC(C#CC)N(c2ccc(cc2)C(O)(C(F)(F)F)C(F)(F)F)CC3 | InChi: | InChI=1S/C21H20F6N4O3S/c1-2-3-16-13-30(35(33,34)17-8-9-18(28)29-12-17)10-11-31(16)15-6-4-14(5-7-15)19(32,20(22,23)24)21(25,26)27/h4-9,12,16,32H,10-11,13H2,1H3,(H2,28,29)/t16-/m0/s1 | Synonyms: | AMG-3969 | Definition date: | 2013-10-02 | Last modified: | 2020-06-17 | Release date: | 2014-05-07 | Identifier: | 2-{4-[(2S)-4-[(6-aminopyridin-3-yl)sulfonyl]-2-(prop-1-yn-1-yl)piperazin-1-yl]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol |
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 | MGE | Name: | (1S)-2-(ALPHA-L-ALLOPYRANOSYLOXY)-1-[(TRIDECANOYLOXY)METHYL]ETHYL PALMITATE | Formula: | C38 H72 O10 | SMILES: | O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COC1OC(C(O)C(O)C1O)CO)CCCCCCCCCCCC | InChi: | InChI=1S/C38H72O10/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-34(41)47-31(30-46-38-37(44)36(43)35(42)32(28-39)48-38)29-45-33(40)26-24-22-20-18-14-12-10-8-6-4-2/h31-32,35-39,42-44H,3-30H2,1-2H3/t31-,32+,35+,36+,37+,38-/m1/s1 | Synonyms: | MONOGALACTOSYL-DIACYLGLYCEROL | Definition date: | 2005-10-03 | Last modified: | 2020-06-17 | Identifier: | (1S)-2-(alpha-L-allopyranosyloxy)-1-[(tridecanoyloxy)methyl]ethyl hexadecanoate |
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 | MGH | Name: | methyl N-(carboxymethyl)-N-(3-phenylpropanoyl)glycyl-D-histidinate | Formula: | C20 H24 N4 O6 | SMILES: | O=C(O)CN(C(=O)CCc1ccccc1)CC(=O)NC(C(=O)OC)Cc2ncnc2 | InChi: | InChI=1S/C20H24N4O6/c1-30-20(29)16(9-15-10-21-13-22-15)23-17(25)11-24(12-19(27)28)18(26)8-7-14-5-3-2-4-6-14/h2-6,10,13,16H,7-9,11-12H2,1H3,(H,21,22)(H,23,25)(H,27,28)/t16-/m1/s1 | Synonyms: | (S)-2-{2-[Carboxymethyl-(3-phenyl-propionyl)-amino]-acetylamino}-3-(3H-imidazol-4-yl)-propionic acid methyl ester | Definition date: | 2011-03-24 | Last modified: | 2020-06-17 | Release date: | 2013-08-28 | Identifier: | methyl N-(carboxymethyl)-N-(3-phenylpropanoyl)glycyl-D-histidinate |
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 | MGI | Name: | methyl 4-(2,3-dihydroxy-5-methylphenoxy)-2-hydroxy-6-methylbenzoate | Formula: | C16 H16 O6 | SMILES: | O=C(OC)c2c(cc(Oc1cc(cc(O)c1O)C)cc2O)C | InChi: | InChI=1S/C16H16O6/c1-8-4-12(18)15(19)13(5-8)22-10-6-9(2)14(11(17)7-10)16(20)21-3/h4-7,17-19H,1-3H3 | Synonyms: | methyl-gerfelin | Definition date: | 2007-09-30 | Last modified: | 2020-06-17 | Identifier: | methyl 4-(2,3-dihydroxy-5-methylphenoxy)-2-hydroxy-6-methylbenzoate |
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 | MGM | Name: | 2-[METHYL-(5-GERANYL-4-METHYL-PENT-3-ENYL)-AMINO]-ETHYL-DIPHOSPHATE | Formula: | C19 H37 N O7 P2 | SMILES: | O=P(OP(=O)(OCCN(C)CCC=C(/C)CCC=C(/C)CCC=C(/C)C)O)(O)O | InChi: | InChI=1S/C19H37NO7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,11,13H,6-8,10,12,14-16H2,1-5H3,(H,24,25)(H2,21,22,23)/b18-11+,19-13+ | Synonyms: | 3-AZAGERANYLGERANYL DIPHOSPHATE | Definition date: | 2002-11-20 | Last modified: | 2020-06-17 | Identifier: | 2-{methyl[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]amino}ethyl trihydrogen diphosphate |
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 | 312 | Name: | 2-(5-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-2'-METHOXY-6-OXIDO-1,1'-BIPHENYL-3-YL)SUCCINATE | Formula: | C25 H20 N4 O6 | SMILES: | [O-]C(=O)CC(C([O-])=O)c4cc(c2nc1cc(ccc1n2)C(=[NH2+])N)c([O-])c(c3ccccc3OC)c4 | InChi: | InChI=1S/C25H22N4O6/c1-35-20-5-3-2-4-14(20)16-8-13(15(25(33)34)11-21(30)31)9-17(22(16)32)24-28-18-7-6-12(23(26)27)10-19(18)29-24/h2-10,15,32H,11H2,1H3,(H3,26,27)(H,28,29)(H,30,31)(H,33,34)/p-2/t15-/m1/s1 | Synonyms: | CRA_17312 | Definition date: | 2003-03-14 | Last modified: | 2020-06-17 | Identifier: | (2R)-2-(5-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}-2'-methoxy-6-oxidobiphenyl-3-yl)butanedioate |
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 | MGW | Name: | methyl N-(carboxymethyl)-N-(2-phenylethyl)glycyl-L-histidinate | Formula: | C19 H24 N4 O5 | SMILES: | O=C(O)CN(CCc1ccccc1)CC(=O)NC(C(=O)OC)Cc2cncn2 | InChi: | InChI=1S/C19H24N4O5/c1-28-19(27)16(9-15-10-20-13-21-15)22-17(24)11-23(12-18(25)26)8-7-14-5-3-2-4-6-14/h2-6,10,13,16H,7-9,11-12H2,1H3,(H,20,21)(H,22,24)(H,25,26)/t16-/m0/s1 | Synonyms: | ( (S)-2-[2-(Carboxymethyl-phenethyl-amino)-acetylamino]-3-(1H-imidazol-4-yl)-propionic acid methyl ester | Definition date: | 2011-04-19 | Last modified: | 2020-06-17 | Release date: | 2013-08-28 | Identifier: | methyl N-(carboxymethyl)-N-(2-phenylethyl)glycyl-L-histidinate |
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 | 31B | Name: | benzoyl-oxydephosphocoenzyme A | Formula: | C28 H39 N7 O15 P2 | SMILES: | O=C(OCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC3OC(c2nc1c(ncnc1n2)N)C(O)C3O)O)O)c4ccccc4 | InChi: | InChI=1S/C28H39N7O15P2/c1-28(2,22(39)26(40)31-9-8-17(36)30-10-11-46-27(41)15-6-4-3-5-7-15)13-48-52(44,45)50-51(42,43)47-12-16-19(37)20(38)21(49-16)25-34-18-23(29)32-14-33-24(18)35-25/h3-7,14,16,19-22,37-39H,8-13H2,1-2H3,(H,30,36)(H,31,40)(H,42,43)(H,44,45)(H3,29,32,33,34,35)/t16-,19+,20+,21-,22-/m0/s1 | Synonyms: | benzoyl-OdCoA | Definition date: | 2014-05-15 | Last modified: | 2020-06-17 | Release date: | 2015-05-13 | Identifier: | (3S,5S,9R)-1-[(2S,3S,4R,5R)-5-(6-amino-9H-purin-8-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl benzoate (non-preferred name) |
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 | MH2 | Name: | MANGANESE ION, 1 HYDROXYL COORDINATED | Formula: | H Mn O | SMILES: | [Mn+2]O | InChi: | InChI=1S/Mn.H2O/h | Synonyms: | [MN(OH)]+ | Definition date: | 2002-06-26 | Last modified: | 2020-06-17 | Identifier: | hydroxymanganese(2+) |
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 | MHN | Name: | 6-METHYLHEPTAN-1-OL | Formula: | C8 H18 O | SMILES: | OCCCCCC(C)C | InChi: | InChI=1S/C8H18O/c1-8(2)6-4-3-5-7-9/h8-9H,3-7H2,1-2H3 | Synonyms: | METHYL HEPTANOL | Definition date: | 2003-04-14 | Last modified: | 2020-06-17 | Identifier: | 6-methylheptan-1-ol |
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 | MIY | Name: | (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-
CARBOXAMIDE | Formula: | C23 H27 N3 O7 | SMILES: | O=C(N)C1=C(O)C(N(C)C)C2CC4C(=C(O)C2(O)C1=O)C(=O)c3c(c(ccc3O)N(C)C)C4 | InChi: | InChI=1S/C23H27N3O7/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28/h5-6,9,11,17,27,29-30,33H,7-8H2,1-4H3,(H2,24,32)/t9-,11-,17-,23-/m0/s1 | Synonyms: | MINOCYCLINE | Definition date: | 2006-06-09 | Last modified: | 2020-06-17 | Identifier: | (4S,4aS,5aR,12aS)-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide |
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 | MJA | Name: | (3R,5R)-3,5-dihydroxy-7-[(1S,2S,6R,8S,8aR)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid | Formula: | C19 H30 O5 | SMILES: | O=C(O)CC(O)CC(O)CCC2C(C=CC1=CC(CC(O)C12)C)C | InChi: | InChI=1S/C19H30O5/c1-11-7-13-4-3-12(2)16(19(13)17(22)8-11)6-5-14(20)9-15(21)10-18(23)24/h3-4,7,11-12,14-17,19-22H,5-6,8-10H2,1-2H3,(H,23,24)/t11-,12-,14+,15+,16-,17-,19-/m0/s1 | Synonyms: | Monacolin J acid | Definition date: | 2009-06-18 | Last modified: | 2020-06-17 | Identifier: | (3R,5R)-3,5-dihydroxy-7-[(1S,2S,6R,8S,8aR)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid |
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 | MJI | Name: | 1-HEXADECYL-3-TRIFLUOROETHYL-SN-GLYCERO-2-PHOSPHATE METHANE | Formula: | C22 H44 F3 O6 P | SMILES: | FC(F)(F)COCC(OP(=O)(OC)O)COCCCCCCCCCCCCCCCC | InChi: | InChI=1S/C22H44F3O6P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-29-18-21(31-32(26,27)28-2)19-30-20-22(23,24)25/h21H,3-20H2,1-2H3,(H,26,27)/t21-/m1/s1 | Synonyms: | MJ33 INHIBITOR | Definition date: | 2000-10-17 | Last modified: | 2020-06-17 | Identifier: | (1R)-2-(hexadecyloxy)-1-[(2,2,2-trifluoroethoxy)methyl]ethyl methyl hydrogen (R)-phosphate |
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 | 3WL | Name: | 5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one | Formula: | C15 H10 O5 | SMILES: | O=C1c3c(O)c(O)c(O)cc3OC(=C1)c2ccccc2 | InChi: | InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H | Synonyms: | Baicalein | Definition date: | 2014-11-27 | Last modified: | 2020-06-17 | Release date: | 2015-09-16 | Identifier: | 5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one |
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 | MJV | Name: | N-{2-[4-(5-chloro-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]ethyl}-4-fluorobenzamide | Formula: | C21 H22 Cl F N4 O2 | SMILES: | c4c3NC(=O)N(C1CCN(CC1)CCNC(=O)c2ccc(cc2)F)c3ccc4Cl | InChi: | InChI=1S/C21H22ClFN4O2/c22-15-3-6-19-18(13-15)25-21(29)27(19)17-7-10-26(11-8-17)12-9-24-20(28)14-1-4-16(23)5-2-14/h1-6,13,17H,7-12H2,(H,24,28)(H,25,29) | Synonyms: | Halopemide | Definition date: | 2019-04-08 | Last modified: | 2020-06-17 | Release date: | 2020-02-19 | Identifier: | N-{2-[4-(5-chloro-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]ethyl}-4-fluorobenzamide |
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 | MK1 | Name: | N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY
BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE | Formula: | C36 H47 N5 O4 | SMILES: | O=C(NC2c1ccccc1CC2O)C(Cc3ccccc3)CC(O)CN5C(C(=O)NC(C)(C)C)CN(Cc4cnccc4)CC5 | InChi: | InChI=1S/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)/t28-,29+,31+,32-,33+/m1/s1 | Synonyms: | INDINAVIR | Definition date: | 1999-07-08 | Last modified: | 2020-06-17 | Identifier: | (2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-5-oxopentyl]-N-tert-butyl-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide (non-preferred name) |
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 | MK3 | Name: | 6-{5-[(2-aminopyrimidin-4-yl)amino]-2-hydroxyphenyl}-N-methylidene-1-benzothiophene-2-carboxamide | Formula: | C20 H15 N5 O2 S | SMILES: | Nc1nccc(Nc2ccc(O)c(c2)c3ccc4cc(sc4c3)C(=O)N=C)n1 | InChi: | InChI=1S/C20H15N5O2S/c1-22-19(27)17-9-12-3-2-11(8-16(12)28-17)14-10-13(4-5-15(14)26)24-18-6-7-23-20(21)25-18/h2-10,26H,1H2,(H3,21,23,24,25) | Synonyms: | 6-(5-(2-aminopyrimidin-4-ylamino)-2-hydroxyphenyl)-N-methylbenzo[b]thiophene-2-carboxamide | Definition date: | 2009-10-21 | Last modified: | 2020-06-17 | Identifier: | 6-[5-[(2-azanylpyrimidin-4-yl)amino]-2-hydroxy-phenyl]-N-methylidene-1-benzothiophene-2-carboxamide |
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 | 3XH | Name: | 3-Hydroxyhippuric acid | Formula: | C9 H9 N O4 | SMILES: | O=C(c1cc(O)ccc1)NCC(=O)O | InChi: | InChI=1S/C9H9NO4/c11-7-3-1-2-6(4-7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13) | Synonyms: | N-[(3-hydroxyphenyl)carbonyl]glycine | Definition date: | 2008-08-26 | Last modified: | 2020-06-17 | Identifier: | N-[(3-hydroxyphenyl)carbonyl]glycine |
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 | MKT | Name: | 1,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one | Formula: | C23 H24 O6 | SMILES: | CC(C)=[C@H]Cc1c(O)cc2Oc3c(C(c2c1O)=O)c(c(c(c3)O)O)C[C@H]=C(C)C | InChi: | InChI=1S/C23H24O6/c1-11(2)5-7-13-15(24)9-18-20(22(13)27)23(28)19-14(8-6-12(3)4)21(26)16(25)10-17(19)29-18/h5-6,9-10,24-27H,7-8H2,1-4H3 | Synonyms: | Gamma-mangostin | Definition date: | 2015-03-02 | Last modified: | 2020-06-17 | Release date: | 2015-09-09 | Identifier: | 1,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one |
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 | 3XU | Name: | (4S,7S,23Z)-4-hydroxy-7-[(1S,2Z)-1-hydroxyhexadec-2-en-1-yl]-N,N,N-trimethyl-9-oxo-3,5-dioxa-8-aza-4-phosphadotriacont-
23-en-1-aminium 4-oxide | Formula: | C47 H94 N2 O6 P | SMILES: | O=P(OCC(NC(=O)CCCCCCCCCCCCCC=C/CCCCCCCC)C(O)C=C/CCCCCCCCCCCCC)(OCC[N+](C)(C)C)O | InChi: | InChI=1S/C47H93N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-47(51)48-45(44-55-56(52,53)54-43-42-49(3,4)5)46(50)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2/h20-21,38,40,45-46,50H,6-19,22-37,39,41-44H2,1-5H3,(H-,48,51,52,53)/p+1/b21-20-,40-38-/t45-,46-/m0/s1 | Synonyms: | N_nervonoyl_D_erythro_sphingosylphosphorylcholine | Definition date: | 2014-12-08 | Last modified: | 2020-06-17 | Release date: | 2015-02-04 | Identifier: | (4S,7S,23Z)-4-hydroxy-7-[(1S,2Z)-1-hydroxyhexadec-2-en-1-yl]-N,N,N-trimethyl-9-oxo-3,5-dioxa-8-aza-4-phosphadotriacont-23-en-1-aminium 4-oxide |
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 | 3XY | Name: | 5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile | Formula: | C23 H21 F3 N6 S | SMILES: | N#Cc2nc1ccc(cc1c2)CN5CCC(Nc3ncnc4sc(cc34)CC(F)(F)F)CC5 | InChi: | InChI=1S/C23H21F3N6S/c24-23(25,26)10-18-9-19-21(28-13-29-22(19)33-18)31-16-3-5-32(6-4-16)12-14-1-2-20-15(7-14)8-17(11-27)30-20/h1-2,7-9,13,16,30H,3-6,10,12H2,(H,28,29,31) | Synonyms: | MI-136 | Definition date: | 2014-12-08 | Last modified: | 2020-06-17 | Release date: | 2015-04-15 | Identifier: | 5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile |
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 | ML0 | Name: | 4-{2-amino-6-[(1R)-2,2,2-trifluoro-1-(3'-fluorobiphenyl-4-yl)ethoxy]pyrimidin-4-yl}-L-phenylalanine | Formula: | C27 H22 F4 N4 O3 | SMILES: | Fc1cccc(c1)c2ccc(cc2)C(Oc4nc(nc(c3ccc(cc3)CC(C(=O)O)N)c4)N)C(F)(F)F | InChi: | InChI=1S/C27H22F4N4O3/c28-20-3-1-2-19(13-20)16-8-10-18(11-9-16)24(27(29,30)31)38-23-14-22(34-26(33)35-23)17-6-4-15(5-7-17)12-21(32)25(36)37/h1-11,13-14,21,24H,12,32H2,(H,36,37)(H2,33,34,35)/t21-,24+/m0/s1 | Synonyms: | (S)-2-Amino-3-(4-{2-amino-6-[(S)-1-(3'-fluoro-biphenyl-4-yl)-ethoxy]-pyrimidin-4-yl}-phenyl)-propionic acid | Definition date: | 2009-05-31 | Last modified: | 2020-06-17 | Identifier: | 4-{2-amino-6-[(1R)-2,2,2-trifluoro-1-(3'-fluorobiphenyl-4-yl)ethoxy]pyrimidin-4-yl}-L-phenylalanine |
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