 | | I6J | | Name: | (2S)-2-[(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid | | Formula: | C19 H24 F2 N4 O4 | | SMILES: | CCc1nc(N)nc(N)c1OCCCOc1ccccc1CC(C(=O)O)C(F)F | | InChi: | InChI=1S/C19H24F2N4O4/c1-2-13-15(17(22)25-19(23)24-13)29-9-5-8-28-14-7-4-3-6-11(14)10-12(16(20)21)18(26)27/h3-4,6-7,12,16H,2,5,8-10H2,1H3,(H,26,27)(H4,22,23,24,25)/t12-/m1/s1 | | Definition date: | 2022-01-17 | | Last modified: | 2022-02-04 | | Release date: | 2022-02-09 | | Identifier: | (2S)-2-[(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid |
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 | | I87 | | Name: | (2S)-N,2-dimethyl-N-(propan-2-yl)morpholine-4-sulfonamide | | Formula: | C9 H20 N2 O3 S | | SMILES: | CC1CN(CCO1)S(=O)(=O)N(C)C(C)C | | InChi: | InChI=1S/C9H20N2O3S/c1-8(2)10(4)15(12,13)11-5-6-14-9(3)7-11/h8-9H,5-7H2,1-4H3/t9-/m0/s1 | | Definition date: | 2022-01-21 | | Last modified: | 2022-02-04 | | Release date: | 2022-02-09 | | Identifier: | (2S)-N,2-dimethyl-N-(propan-2-yl)morpholine-4-sulfonamide |
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 | | I8A | | Name: | N-(cyclopropylmethyl)-2,2,3,3-tetramethylazetidine-1-carboxamide | | Formula: | C12 H22 N2 O | | SMILES: | CC1(C)N(CC1(C)C)C(=O)NCC1CC1 | | InChi: | InChI=1S/C12H22N2O/c1-11(2)8-14(12(11,3)4)10(15)13-7-9-5-6-9/h9H,5-8H2,1-4H3,(H,13,15) | | Definition date: | 2022-01-21 | | Last modified: | 2022-02-04 | | Release date: | 2022-02-09 | | Identifier: | N-(cyclopropylmethyl)-2,2,3,3-tetramethylazetidine-1-carboxamide |
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 | | I8D | | Name: | (4-chlorophenyl)(thiomorpholin-4-yl)methanone | | Formula: | C11 H12 Cl N O S | | SMILES: | O=C(c1ccc(Cl)cc1)N1CCSCC1 | | InChi: | InChI=1S/C11H12ClNOS/c12-10-3-1-9(2-4-10)11(14)13-5-7-15-8-6-13/h1-4H,5-8H2 | | Definition date: | 2022-01-21 | | Last modified: | 2022-02-04 | | Release date: | 2022-02-09 | | Identifier: | (4-chlorophenyl)(thiomorpholin-4-yl)methanone |
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 | | I8G | | Name: | 2-(4-fluorophenoxy)-1-(pyrrolidin-1-yl)ethan-1-one | | Formula: | C12 H14 F N O2 | | SMILES: | O=C(COc1ccc(F)cc1)N1CCCC1 | | InChi: | InChI=1S/C12H14FNO2/c13-10-3-5-11(6-4-10)16-9-12(15)14-7-1-2-8-14/h3-6H,1-2,7-9H2 | | Definition date: | 2022-01-21 | | Last modified: | 2022-02-04 | | Release date: | 2022-02-09 | | Identifier: | 2-(4-fluorophenoxy)-1-(pyrrolidin-1-yl)ethan-1-one |
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 | | I8J | | Name: | 5-fluoro-1-(1-methylcyclopropane-1-sulfonyl)-1,2,3,6-tetrahydropyridine | | Formula: | C9 H14 F N O2 S | | SMILES: | FC=1CN(CCC=1)S(=O)(=O)C1(C)CC1 | | InChi: | InChI=1S/C9H14FNO2S/c1-9(4-5-9)14(12,13)11-6-2-3-8(10)7-11/h3H,2,4-7H2,1H3 | | Definition date: | 2022-01-21 | | Last modified: | 2022-02-04 | | Release date: | 2022-02-09 | | Identifier: | 5-fluoro-1-(1-methylcyclopropane-1-sulfonyl)-1,2,3,6-tetrahydropyridine |
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 | | I8M | | Name: | 2-[(morpholin-4-yl)methyl]phenol | | Formula: | C11 H15 N O2 | | SMILES: | Oc1ccccc1CN1CCOCC1 | | InChi: | InChI=1S/C11H15NO2/c13-11-4-2-1-3-10(11)9-12-5-7-14-8-6-12/h1-4,13H,5-9H2 | | Definition date: | 2022-01-21 | | Last modified: | 2022-02-04 | | Release date: | 2022-02-09 | | Identifier: | 2-[(morpholin-4-yl)methyl]phenol |
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 | | 81O | | Name: | 5-[4-butoxy-3-[[[2-fluoranyl-4-(trifluoromethyl)phenyl]carbonylamino]methyl]phenyl]-4,6-dimethyl-pyridine-3-carboxylic acid | | Formula: | C27 H26 F4 N2 O4 | | SMILES: | CCCCOc1ccc(cc1CNC(=O)c2ccc(cc2F)C(F)(F)F)c3c(C)ncc(C(O)=O)c3C | | InChi: | InChI=1S/C27H26F4N2O4/c1-4-5-10-37-23-9-6-17(24-15(2)21(26(35)36)14-32-16(24)3)11-18(23)13-33-25(34)20-8-7-19(12-22(20)28)27(29,30)31/h6-9,11-12,14H,4-5,10,13H2,1-3H3,(H,33,34)(H,35,36) | | Definition date: | 2021-11-12 | | Last modified: | 2022-02-04 | | Release date: | 2022-02-09 | | Identifier: | 5-[4-butoxy-3-[[[2-fluoranyl-4-(trifluoromethyl)phenyl]carbonylamino]methyl]phenyl]-4,6-dimethyl-pyridine-3-carboxylic acid |
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 | | 820 | | Name: | (2S)-2-[[4-propoxy-3-[[[4-(trifluoromethyl)phenyl]carbonylamino]methyl]phenyl]methyl]butanoic acid | | Formula: | C23 H26 F3 N O4 | | SMILES: | CCCOc1ccc(C[CH](CC)C(O)=O)cc1CNC(=O)c2ccc(cc2)C(F)(F)F | | InChi: | InChI=1S/C23H26F3NO4/c1-3-11-31-20-10-5-15(12-16(4-2)22(29)30)13-18(20)14-27-21(28)17-6-8-19(9-7-17)23(24,25)26/h5-10,13,16H,3-4,11-12,14H2,1-2H3,(H,27,28)(H,29,30)/t16-/m0/s1 | | Definition date: | 2021-11-15 | | Last modified: | 2022-02-04 | | Release date: | 2022-02-09 | | Identifier: | (2~{S})-2-[[4-propoxy-3-[[[4-(trifluoromethyl)phenyl]carbonylamino]methyl]phenyl]methyl]butanoic acid |
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 | | 82K | | Name: | (2S)-2-[[4-hexoxy-3-[[[4-(trifluoromethyl)phenyl]carbonylamino]methyl]phenyl]methyl]butanoic acid | | Formula: | C26 H32 F3 N O4 | | SMILES: | CCCCCCOc1ccc(C[CH](CC)C(O)=O)cc1CNC(=O)c2ccc(cc2)C(F)(F)F | | InChi: | InChI=1S/C26H32F3NO4/c1-3-5-6-7-14-34-23-13-8-18(15-19(4-2)25(32)33)16-21(23)17-30-24(31)20-9-11-22(12-10-20)26(27,28)29/h8-13,16,19H,3-7,14-15,17H2,1-2H3,(H,30,31)(H,32,33)/t19-/m0/s1 | | Definition date: | 2021-11-15 | | Last modified: | 2022-02-04 | | Release date: | 2022-02-09 | | Identifier: | (2~{S})-2-[[4-hexoxy-3-[[[4-(trifluoromethyl)phenyl]carbonylamino]methyl]phenyl]methyl]butanoic acid |
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 | | GUU | | Name: | 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-N-(methanesulfonyl)propanamide | | Formula: | C19 H27 N5 O5 S | | SMILES: | CCc1nc(N)nc(N)c1OCCCOc1ccccc1CCC(=O)NS(C)(=O)=O | | InChi: | InChI=1S/C19H27N5O5S/c1-3-14-17(18(20)23-19(21)22-14)29-12-6-11-28-15-8-5-4-7-13(15)9-10-16(25)24-30(2,26)27/h4-5,7-8H,3,6,9-12H2,1-2H3,(H,24,25)(H4,20,21,22,23) | | Definition date: | 2022-01-03 | | Last modified: | 2022-02-04 | | Release date: | 2022-02-09 | | Identifier: | 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-N-(methanesulfonyl)propanamide |
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 | | GWL | | Name: | 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanamide | | Formula: | C18 H25 N5 O3 | | SMILES: | CCc1nc(N)nc(N)c1OCCCOc1ccccc1CCC(N)=O | | InChi: | InChI=1S/C18H25N5O3/c1-2-13-16(17(20)23-18(21)22-13)26-11-5-10-25-14-7-4-3-6-12(14)8-9-15(19)24/h3-4,6-7H,2,5,8-11H2,1H3,(H2,19,24)(H4,20,21,22,23) | | Definition date: | 2022-01-03 | | Last modified: | 2022-02-04 | | Release date: | 2022-02-09 | | Identifier: | 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanamide |
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 | | GXC | | Name: | N-[2-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)ethanesulfonyl]acetamide | | Formula: | C19 H27 N5 O5 S | | SMILES: | CCc1nc(N)nc(N)c1OCCCOc1ccccc1CCS(=O)(=O)NC(C)=O | | InChi: | InChI=1S/C19H27N5O5S/c1-3-15-17(18(20)23-19(21)22-15)29-11-6-10-28-16-8-5-4-7-14(16)9-12-30(26,27)24-13(2)25/h4-5,7-8H,3,6,9-12H2,1-2H3,(H,24,25)(H4,20,21,22,23) | | Definition date: | 2022-01-03 | | Last modified: | 2022-02-04 | | Release date: | 2022-02-09 | | Identifier: | N-[2-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)ethanesulfonyl]acetamide |
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 | | GXJ | | Name: | (2R)-3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-2-methylpropanoic acid | | Formula: | C19 H26 N4 O4 | | SMILES: | CCc1nc(N)nc(N)c1OCCCOc1ccccc1CC(C)C(=O)O | | InChi: | InChI=1S/C19H26N4O4/c1-3-14-16(17(20)23-19(21)22-14)27-10-6-9-26-15-8-5-4-7-13(15)11-12(2)18(24)25/h4-5,7-8,12H,3,6,9-11H2,1-2H3,(H,24,25)(H4,20,21,22,23)/t12-/m1/s1 | | Definition date: | 2022-01-03 | | Last modified: | 2022-02-04 | | Release date: | 2022-02-09 | | Identifier: | (2R)-3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-2-methylpropanoic acid |
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 | | GYI | | Name: | 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-N-(propane-2-sulfonyl)propanamide | | Formula: | C21 H31 N5 O5 S | | SMILES: | CCc1nc(N)nc(N)c1OCCCOc1ccccc1CCC(=O)NS(=O)(=O)C(C)C | | InChi: | InChI=1S/C21H31N5O5S/c1-4-16-19(20(22)25-21(23)24-16)31-13-7-12-30-17-9-6-5-8-15(17)10-11-18(27)26-32(28,29)14(2)3/h5-6,8-9,14H,4,7,10-13H2,1-3H3,(H,26,27)(H4,22,23,24,25) | | Definition date: | 2022-01-03 | | Last modified: | 2022-02-04 | | Release date: | 2022-02-09 | | Identifier: | 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-N-(propane-2-sulfonyl)propanamide |
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 | | H03 | | Name: | 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-N-(dimethylsulfamoyl)propanamide | | Formula: | C20 H30 N6 O5 S | | SMILES: | CCc1nc(N)nc(N)c1OCCCOc1ccccc1CCC(=O)NS(=O)(=O)N(C)C | | InChi: | InChI=1S/C20H30N6O5S/c1-4-15-18(19(21)24-20(22)23-15)31-13-7-12-30-16-9-6-5-8-14(16)10-11-17(27)25-32(28,29)26(2)3/h5-6,8-9H,4,7,10-13H2,1-3H3,(H,25,27)(H4,21,22,23,24) | | Definition date: | 2022-01-03 | | Last modified: | 2022-02-04 | | Release date: | 2022-02-09 | | Identifier: | 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-N-(dimethylsulfamoyl)propanamide |
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 | | H0I | | Name: | 4-(3-{4-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]butoxy}phenyl)butanoic acid | | Formula: | C20 H28 N4 O4 | | SMILES: | CCc1nc(N)nc(N)c1OCCCCOc1cc(CCCC(=O)O)ccc1 | | InChi: | InChI=1S/C20H28N4O4/c1-2-16-18(19(21)24-20(22)23-16)28-12-4-3-11-27-15-9-5-7-14(13-15)8-6-10-17(25)26/h5,7,9,13H,2-4,6,8,10-12H2,1H3,(H,25,26)(H4,21,22,23,24) | | Definition date: | 2022-01-03 | | Last modified: | 2022-02-04 | | Release date: | 2022-02-09 | | Identifier: | 4-(3-{4-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]butoxy}phenyl)butanoic acid |
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 | | H4U | | Name: | 6-ethyl-5-(4-{3-[3-(1H-tetrazol-5-yl)propyl]phenoxy}butoxy)pyrimidine-2,4-diamine | | Formula: | C20 H28 N8 O2 | | SMILES: | CCc1nc(N)nc(N)c1OCCCCOc1cccc(CCCc2nnn[NH]2)c1 | | InChi: | InChI=1S/C20H28N8O2/c1-2-16-18(19(21)24-20(22)23-16)30-12-4-3-11-29-15-9-5-7-14(13-15)8-6-10-17-25-27-28-26-17/h5,7,9,13H,2-4,6,8,10-12H2,1H3,(H4,21,22,23,24)(H,25,26,27,28) | | Definition date: | 2022-01-03 | | Last modified: | 2022-02-04 | | Release date: | 2022-02-09 | | Identifier: | 6-ethyl-5-(4-{3-[3-(1H-tetrazol-5-yl)propyl]phenoxy}butoxy)pyrimidine-2,4-diamine |
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 | | H6O | | Name: | (2S)-4-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)butane-1,2-diol | | Formula: | C19 H28 N4 O4 | | SMILES: | CCc1nc(N)nc(N)c1OCCCOc1ccccc1CCC(O)CO | | InChi: | InChI=1S/C19H28N4O4/c1-2-15-17(18(20)23-19(21)22-15)27-11-5-10-26-16-7-4-3-6-13(16)8-9-14(25)12-24/h3-4,6-7,14,24-25H,2,5,8-12H2,1H3,(H4,20,21,22,23)/t14-/m0/s1 | | Definition date: | 2022-01-03 | | Last modified: | 2022-02-04 | | Release date: | 2022-02-09 | | Identifier: | (2S)-4-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)butane-1,2-diol |
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 | | B7L | | Name: | 2-({[(8R)-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}methyl)-1-benzofuran-7-carboxylic acid | | Formula: | C17 H12 N4 O4 | | SMILES: | O=C(O)c1cccc2cc(CNC(=O)c3cnn4cccnc43)oc12 | | InChi: | InChI=1S/C17H12N4O4/c22-16(13-9-20-21-6-2-5-18-15(13)21)19-8-11-7-10-3-1-4-12(17(23)24)14(10)25-11/h1-7,9H,8H2,(H,19,22)(H,23,24) | | Definition date: | 2021-11-12 | | Last modified: | 2022-02-04 | | Release date: | 2022-02-09 | | Identifier: | 2-({[(8R)-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}methyl)-1-benzofuran-7-carboxylic acid |
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 | | H9I | | Name: | 3-{2-[(3-{[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]methyl}oxetan-3-yl)methoxy]phenyl}propanoic acid | | Formula: | C20 H26 N4 O5 | | SMILES: | O=C(O)CCc1ccccc1OCC1(COc2c(N)nc(N)nc2CC)COC1 | | InChi: | InChI=1S/C20H26N4O5/c1-2-14-17(18(21)24-19(22)23-14)29-12-20(9-27-10-20)11-28-15-6-4-3-5-13(15)7-8-16(25)26/h3-6H,2,7-12H2,1H3,(H,25,26)(H4,21,22,23,24) | | Definition date: | 2022-01-03 | | Last modified: | 2022-02-04 | | Release date: | 2022-02-09 | | Identifier: | 3-{2-[(3-{[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]methyl}oxetan-3-yl)methoxy]phenyl}propanoic acid |
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 | | HEI | | Name: | 1-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)piperidine-4-carboxylic acid | | Formula: | C21 H29 N5 O4 | | SMILES: | CCc1nc(N)nc(N)c1OCCCOc1ccccc1N1CCC(CC1)C(=O)O | | InChi: | InChI=1S/C21H29N5O4/c1-2-15-18(19(22)25-21(23)24-15)30-13-5-12-29-17-7-4-3-6-16(17)26-10-8-14(9-11-26)20(27)28/h3-4,6-7,14H,2,5,8-13H2,1H3,(H,27,28)(H4,22,23,24,25) | | Definition date: | 2022-01-03 | | Last modified: | 2022-02-04 | | Release date: | 2022-02-09 | | Identifier: | 1-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)piperidine-4-carboxylic acid |
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 | | HI9 | | Name: | (2E)-3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}pyridin-3-yl)prop-2-en-1-ol | | Formula: | C17 H23 N5 O3 | | SMILES: | CCc1nc(N)nc(N)c1OCCCOc1ncccc1C=CCO | | InChi: | InChI=1S/C17H23N5O3/c1-2-13-14(15(18)22-17(19)21-13)24-10-5-11-25-16-12(7-4-9-23)6-3-8-20-16/h3-4,6-8,23H,2,5,9-11H2,1H3,(H4,18,19,21,22) | | Definition date: | 2022-01-03 | | Last modified: | 2022-02-04 | | Release date: | 2022-02-09 | | Identifier: | (2E)-3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}pyridin-3-yl)prop-2-en-1-ol |
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 | | HIK | | Name: | 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}pyridin-3-yl)propan-1-ol | | Formula: | C17 H25 N5 O3 | | SMILES: | CCc1nc(N)nc(N)c1OCCCOc1ncccc1CCCO | | InChi: | InChI=1S/C17H25N5O3/c1-2-13-14(15(18)22-17(19)21-13)24-10-5-11-25-16-12(7-4-9-23)6-3-8-20-16/h3,6,8,23H,2,4-5,7,9-11H2,1H3,(H4,18,19,21,22) | | Definition date: | 2022-01-03 | | Last modified: | 2022-02-04 | | Release date: | 2022-02-09 | | Identifier: | 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}pyridin-3-yl)propan-1-ol |
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 | | HJI | | Name: | (2R)-2-[(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid | | Formula: | C19 H24 F2 N4 O4 | | SMILES: | CCc1nc(N)nc(N)c1OCCCOc1ccccc1CC(C(=O)O)C(F)F | | InChi: | InChI=1S/C19H24F2N4O4/c1-2-13-15(17(22)25-19(23)24-13)29-9-5-8-28-14-7-4-3-6-11(14)10-12(16(20)21)18(26)27/h3-4,6-7,12,16H,2,5,8-10H2,1H3,(H,26,27)(H4,22,23,24,25)/t12-/m0/s1 | | Definition date: | 2022-01-03 | | Last modified: | 2022-02-04 | | Release date: | 2022-02-09 | | Identifier: | (2R)-2-[(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid |
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