3-[3-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]propanoic acid;5-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]pyridine-2-carboxylic acid;6-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]pyridine-3-carboxylic acid;4-[3-[2-(dimethylamino)ethoxy]-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]benzoic acid;4-[3-[3-(dimethylamino)propoxy]-4-(7-oxo-2,6-dihydrotriazolo[4,5-d]pyrimidin-5-yl)phenyl]benzoic acid;2-[2-ethoxy-4-(3-ethylphenyl)phenyl]-1,7-dihydropurin-6-one;4-[3-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]butanoic acid;3-[3-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]propanoic acid;(E)-3-[3-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]prop-2-enoic acid;4-[4-(6-oxo-1,7-dihydropurin-2-yl)-3-(2-pyrrolidin-1-ylethoxy)phenyl]benzoic acid;3-[3-[4-(6-oxo-1,7-dihydropurin-2-yl)-3-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]propanoic acid

C251H235N51O42 — CID 163421820

IUPAC3-[3-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]propanoic acid;5-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]pyridine-2-carboxylic acid;6-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]pyridine-3-carboxylic acid;4-[3-[2-(dimethylamino)ethoxy]-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]benzoic acid;4-[3-[3-(dimethylamino)propoxy]-4-(7-oxo-2,6-dihydrotriazolo[4,5-d]pyrimidin-5-yl)phenyl]benzoic acid;2-[2-ethoxy-4-(3-ethylphenyl)phenyl]-1,7-dihydropurin-6-one;4-[3-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]butanoic acid;3-[3-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]propanoic acid;(E)-3-[3-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]prop-2-enoic acid;4-[4-(6-oxo-1,7-dihydropurin-2-yl)-3-(2-pyrrolidin-1-ylethoxy)phenyl]benzoic acid;3-[3-[4-(6-oxo-1,7-dihydropurin-2-yl)-3-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]propanoic acid
SMILESCCOc1cc(-c2cccc(/C=C/C(=O)O)c2)ccc1-c1nc2nc[nH]c2c(=O)[nH]1.CCOc1cc(-c2cccc(CC)c2)ccc1-c1nc2nc[nH]c2c(=O)[nH]1.CCOc1cc(-c2cccc(CCC(=O)O)c2)ccc1-c1nc2nc[nH]c2c(=O)[nH]1.CCOc1cc(-c2cccc(CCCC(=O)O)c2)ccc1-c1nc2nc[nH]c2c(=O)[nH]1.CN(C)CCCOc1cc(-c2ccc(C(=O)O)cc2)ccc1-c1nc2n[nH]nc2c(=O)[nH]1.CN(C)CCOc1cc(-c2ccc(C(=O)O)cc2)ccc1-c1nc2nc[nH]c2c(=O)[nH]1.O=C(O)CCc1cccc(-c2ccc(-c3nc4nc[nH]c4c(=O)[nH]3)c(OC3CCCC3)c2)c1.O=C(O)CCc1cccc(-c2ccc(-c3nc4nc[nH]c4c(=O)[nH]3)c(OCCN3CCCC3)c2)c1.O=C(O)c1ccc(-c2ccc(-c3nc4nc[nH]c4c(=O)[nH]3)c(OC3CCCC3)c2)cn1.O=C(O)c1ccc(-c2ccc(-c3nc4nc[nH]c4c(=O)[nH]3)c(OC3CCCC3)c2)nc1.O=C(O)c1ccc(-c2ccc(-c3nc4nc[nH]c4c(=O)[nH]3)c(OCCN3CCCC3)c2)cc1
InChIInChI=1S/C26H27N5O4.C25H24N4O4.C24H23N5O4.C23H22N4O4.C22H22N6O4.2C22H19N5O4.C22H21N5O4.C22H20N4O4.C22H18N4O4.C21H20N4O2/c32-22(33)9-6-17-4-3-5-18(14-17)19-7-8-20(21(15-19)35-13-12-31-10-1-2-11-31)24-29-25-23(26(34)30-24)27-16-28-25;30-21(31)11-8-15-4-3-5-16(12-15)17-9-10-19(20(13-17)33-18-6-1-2-7-18)23-28-24-22(25(32)29-23)26-14-27-24;30-23-20-22(26-14-25-20)27-21(28-23)18-8-7-17(15-3-5-16(6-4-15)24(31)32)13-19(18)33-12-11-29-9-1-2-10-29;1-2-31-18-12-16(15-7-3-5-14(11-15)6-4-8-19(28)29)9-10-17(18)21-26-22-20(23(30)27-21)24-13-25-22;1-28(2)10-3-11-32-17-12-15(13-4-6-14(7-5-13)22(30)31)8-9-16(17)19-23-20-18(21(29)24-19)25-27-26-20;28-21-18-20(25-11-24-18)26-19(27-21)15-7-5-12(9-17(15)31-14-3-1-2-4-14)16-8-6-13(10-23-16)22(29)30;28-21-18-20(25-11-24-18)26-19(27-21)15-7-5-12(9-17(15)31-14-3-1-2-4-14)13-6-8-16(22(29)30)23-10-13;1-27(2)9-10-31-17-11-15(13-3-5-14(6-4-13)22(29)30)7-8-16(17)19-25-20-18(21(28)26-19)23-12-24-20;2*1-2-30-17-11-15(14-5-3-4-13(10-14)6-9-18(27)28)7-8-16(17)20-25-21-19(22(29)26-20)23-12-24-21;1-3-13-6-5-7-14(10-13)15-8-9-16(17(11-15)27-4-2)19-24-20-18(21(26)25-19)22-12-23-20/h3-5,7-8,14-16H,1-2,6,9-13H2,(H,32,33)(H2,27,28,29,30,34);3-5,9-10,12-14,18H,1-2,6-8,11H2,(H,30,31)(H2,26,27,28,29,32);3-8,13-14H,1-2,9-12H2,(H,31,32)(H2,25,26,27,28,30);3,5,7,9-13H,2,4,6,8H2,1H3,(H,28,29)(H2,24,25,26,27,30);4-9,12H,3,10-11H2,1-2H3,(H,30,31)(H2,23,24,25,26,27,29);2*5-11,14H,1-4H2,(H,29,30)(H2,24,25,26,27,28);3-8,11-12H,9-10H2,1-2H3,(H,29,30)(H2,23,24,25,26,28);3-5,7-8,10-12H,2,6,9H2,1H3,(H,27,28)(H2,23,24,25,26,29);3-12H,2H2,1H3,(H,27,28)(H2,23,24,25,26,29);5-12H,3-4H2,1-2H3,(H2,22,23,24,25,26)/b;;;;;;;;;9-6+;
InChIKeyAJBRVGYDZDIYGN-FYNVXUJKSA-N
MW4637.96 g/mol
LogP37.36
Rot. Bonds74

About 3-[3-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]propanoic acid;5-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]pyridine-2-carboxylic acid;6-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]pyridine-3-carboxylic acid;4-[3-[2-(dimethylamino)ethoxy]-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]benzoic acid;4-[3-[3-(dimethylamino)propoxy]-4-(7-oxo-2,6-dihydrotriazolo[4,5-d]pyrimidin-5-yl)phenyl]benzoic acid;2-[2-ethoxy-4-(3-ethylphenyl)phenyl]-1,7-dihydropurin-6-one;4-[3-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]butanoic acid;3-[3-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]propanoic acid;(E)-3-[3-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]prop-2-enoic acid;4-[4-(6-oxo-1,7-dihydropurin-2-yl)-3-(2-pyrrolidin-1-ylethoxy)phenyl]benzoic acid;3-[3-[4-(6-oxo-1,7-dihydropurin-2-yl)-3-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]propanoic acid

3-[3-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]propanoic acid;5-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]pyridine-2-carboxylic acid;6-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]pyridine-3-carboxylic acid;4-[3-[2-(dimethylamino)ethoxy]-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]benzoic acid;4-[3-[3-(dimethylamino)propoxy]-4-(7-oxo-2,6-dihydrotriazolo[4,5-d]pyrimidin-5-yl)phenyl]benzoic acid;2-[2-ethoxy-4-(3-ethylphenyl)phenyl]-1,7-dihydropurin-6-one;4-[3-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]butanoic acid;3-[3-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]propanoic acid;(E)-3-[3-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]prop-2-enoic acid;4-[4-(6-oxo-1,7-dihydropurin-2-yl)-3-(2-pyrrolidin-1-ylethoxy)phenyl]benzoic acid;3-[3-[4-(6-oxo-1,7-dihydropurin-2-yl)-3-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]propanoic acid (PubChem CID 163421820) has the molecular formula C251H235N51O42 and a molecular weight of 4637.96 g/mol. Its IUPAC name is 3-[3-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]propanoic acid;5-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]pyridine-2-carboxylic acid;6-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]pyridine-3-carboxylic acid;4-[3-[2-(dimethylamino)ethoxy]-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]benzoic acid;4-[3-[3-(dimethylamino)propoxy]-4-(7-oxo-2,6-dihydrotriazolo[4,5-d]pyrimidin-5-yl)phenyl]benzoic acid;2-[2-ethoxy-4-(3-ethylphenyl)phenyl]-1,7-dihydropurin-6-one;4-[3-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]butanoic acid;3-[3-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]propanoic acid;(E)-3-[3-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]prop-2-enoic acid;4-[4-(6-oxo-1,7-dihydropurin-2-yl)-3-(2-pyrrolidin-1-ylethoxy)phenyl]benzoic acid;3-[3-[4-(6-oxo-1,7-dihydropurin-2-yl)-3-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[3-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]propanoic acid;5-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]pyridine-2-carboxylic acid;6-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]pyridine-3-carboxylic acid;4-[3-[2-(dimethylamino)ethoxy]-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]benzoic acid;4-[3-[3-(dimethylamino)propoxy]-4-(7-oxo-2,6-dihydrotriazolo[4,5-d]pyrimidin-5-yl)phenyl]benzoic acid;2-[2-ethoxy-4-(3-ethylphenyl)phenyl]-1,7-dihydropurin-6-one;4-[3-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]butanoic acid;3-[3-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]propanoic acid;(E)-3-[3-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]prop-2-enoic acid;4-[4-(6-oxo-1,7-dihydropurin-2-yl)-3-(2-pyrrolidin-1-ylethoxy)phenyl]benzoic acid;3-[3-[4-(6-oxo-1,7-dihydropurin-2-yl)-3-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]propanoic acid
PubChem CID163421820
Molecular FormulaC251H235N51O42
Molecular Weight4637.96 g/mol
Exact Mass4634.78
IUPAC Name3-[3-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]propanoic acid;5-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]pyridine-2-carboxylic acid;6-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]pyridine-3-carboxylic acid;4-[3-[2-(dimethylamino)ethoxy]-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]benzoic acid;4-[3-[3-(dimethylamino)propoxy]-4-(7-oxo-2,6-dihydrotriazolo[4,5-d]pyrimidin-5-yl)phenyl]benzoic acid;2-[2-ethoxy-4-(3-ethylphenyl)phenyl]-1,7-dihydropurin-6-one;4-[3-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]butanoic acid;3-[3-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]propanoic acid;(E)-3-[3-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]prop-2-enoic acid;4-[4-(6-oxo-1,7-dihydropurin-2-yl)-3-(2-pyrrolidin-1-ylethoxy)phenyl]benzoic acid;3-[3-[4-(6-oxo-1,7-dihydropurin-2-yl)-3-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]propanoic acid
SMILESCCOc1cc(-c2cccc(/C=C/C(=O)O)c2)ccc1-c1nc2nc[nH]c2c(=O)[nH]1.CCOc1cc(-c2cccc(CC)c2)ccc1-c1nc2nc[nH]c2c(=O)[nH]1.CCOc1cc(-c2cccc(CCC(=O)O)c2)ccc1-c1nc2nc[nH]c2c(=O)[nH]1.CCOc1cc(-c2cccc(CCCC(=O)O)c2)ccc1-c1nc2nc[nH]c2c(=O)[nH]1.CN(C)CCCOc1cc(-c2ccc(C(=O)O)cc2)ccc1-c1nc2n[nH]nc2c(=O)[nH]1.CN(C)CCOc1cc(-c2ccc(C(=O)O)cc2)ccc1-c1nc2nc[nH]c2c(=O)[nH]1.O=C(O)CCc1cccc(-c2ccc(-c3nc4nc[nH]c4c(=O)[nH]3)c(OC3CCCC3)c2)c1.O=C(O)CCc1cccc(-c2ccc(-c3nc4nc[nH]c4c(=O)[nH]3)c(OCCN3CCCC3)c2)c1.O=C(O)c1ccc(-c2ccc(-c3nc4nc[nH]c4c(=O)[nH]3)c(OC3CCCC3)c2)cn1.O=C(O)c1ccc(-c2ccc(-c3nc4nc[nH]c4c(=O)[nH]3)c(OC3CCCC3)c2)nc1.O=C(O)c1ccc(-c2ccc(-c3nc4nc[nH]c4c(=O)[nH]3)c(OCCN3CCCC3)c2)cc1
InChIInChI=1S/C26H27N5O4.C25H24N4O4.C24H23N5O4.C23H22N4O4.C22H22N6O4.2C22H19N5O4.C22H21N5O4.C22H20N4O4.C22H18N4O4.C21H20N4O2/c32-22(33)9-6-17-4-3-5-18(14-17)19-7-8-20(21(15-19)35-13-12-31-10-1-2-11-31)24-29-25-23(26(34)30-24)27-16-28-25;30-21(31)11-8-15-4-3-5-16(12-15)17-9-10-19(20(13-17)33-18-6-1-2-7-18)23-28-24-22(25(32)29-23)26-14-27-24;30-23-20-22(26-14-25-20)27-21(28-23)18-8-7-17(15-3-5-16(6-4-15)24(31)32)13-19(18)33-12-11-29-9-1-2-10-29;1-2-31-18-12-16(15-7-3-5-14(11-15)6-4-8-19(28)29)9-10-17(18)21-26-22-20(23(30)27-21)24-13-25-22;1-28(2)10-3-11-32-17-12-15(13-4-6-14(7-5-13)22(30)31)8-9-16(17)19-23-20-18(21(29)24-19)25-27-26-20;28-21-18-20(25-11-24-18)26-19(27-21)15-7-5-12(9-17(15)31-14-3-1-2-4-14)16-8-6-13(10-23-16)22(29)30;28-21-18-20(25-11-24-18)26-19(27-21)15-7-5-12(9-17(15)31-14-3-1-2-4-14)13-6-8-16(22(29)30)23-10-13;1-27(2)9-10-31-17-11-15(13-3-5-14(6-4-13)22(29)30)7-8-16(17)19-25-20-18(21(28)26-19)23-12-24-20;2*1-2-30-17-11-15(14-5-3-4-13(10-14)6-9-18(27)28)7-8-16(17)20-25-21-19(22(29)26-20)23-12-24-21;1-3-13-6-5-7-14(10-13)15-8-9-16(17(11-15)27-4-2)19-24-20-18(21(26)25-19)22-12-23-20/h3-5,7-8,14-16H,1-2,6,9-13H2,(H,32,33)(H2,27,28,29,30,34);3-5,9-10,12-14,18H,1-2,6-8,11H2,(H,30,31)(H2,26,27,28,29,32);3-8,13-14H,1-2,9-12H2,(H,31,32)(H2,25,26,27,28,30);3,5,7,9-13H,2,4,6,8H2,1H3,(H,28,29)(H2,24,25,26,27,30);4-9,12H,3,10-11H2,1-2H3,(H,30,31)(H2,23,24,25,26,27,29);2*5-11,14H,1-4H2,(H,29,30)(H2,24,25,26,27,28);3-8,11-12H,9-10H2,1-2H3,(H,29,30)(H2,23,24,25,26,28);3-5,7-8,10-12H,2,6,9H2,1H3,(H,27,28)(H2,23,24,25,26,29);3-12H,2H2,1H3,(H,27,28)(H2,23,24,25,26,29);5-12H,3-4H2,1-2H3,(H2,22,23,24,25,26)/b;;;;;;;;;9-6+;
InChIKeyAJBRVGYDZDIYGN-FYNVXUJKSA-N
XLogP37.36
TPSA1344.89 Ų
H-Bond Donors32
H-Bond Acceptors61
Rotatable Bonds74
Heavy Atoms344
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004637.96
LogP ≤ 537.36
H-Bond Donors ≤ 532
H-Bond Acceptors ≤ 1061

Analyze 3-[3-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]propanoic acid;5-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]pyridine-2-carboxylic acid;6-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]pyridine-3-carboxylic acid;4-[3-[2-(dimethylamino)ethoxy]-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]benzoic acid;4-[3-[3-(dimethylamino)propoxy]-4-(7-oxo-2,6-dihydrotriazolo[4,5-d]pyrimidin-5-yl)phenyl]benzoic acid;2-[2-ethoxy-4-(3-ethylphenyl)phenyl]-1,7-dihydropurin-6-one;4-[3-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]butanoic acid;3-[3-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]propanoic acid;(E)-3-[3-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]prop-2-enoic acid;4-[4-(6-oxo-1,7-dihydropurin-2-yl)-3-(2-pyrrolidin-1-ylethoxy)phenyl]benzoic acid;3-[3-[4-(6-oxo-1,7-dihydropurin-2-yl)-3-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]propanoic acid with MolForge

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Related Compounds

5-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]pyridine-2-carboxylic acid;2-[2-ethoxy-4-(3-ethylphenyl)phenyl]-1,7-dihydropurin-6-one;(Z)-3-[3-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]-2-methylprop-2-enoic acid;3-[3-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]propanoic acid;(E)-3-[3-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]prop-2-enoic acid
CID 157299234
3-[3-[2-(dimethylamino)ethoxy]-5-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]propanoic acid;3-[4-[2-(dimethylamino)ethoxy]-3-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]propanoic acid;(E)-3-[3-[2-(dimethylamino)ethoxy]-5-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]prop-2-enoic acid;(E)-3-[4-[2-(dimethylamino)ethoxy]-3-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]prop-2-enoic acid;3-[3-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]-5-(2-pyrrolidin-1-ylethoxy)phenyl]propanoic acid;methane
CID 163931260
3-[2-[2-(dimethylamino)ethoxy]-5-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]propanoic acid;(E)-3-[2-[2-(dimethylamino)ethoxy]-5-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]prop-2-enoic acid;bis((E)-3-[4-[2-(dimethylamino)ethoxy]-3-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]prop-2-enoic acid);3-[5-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]-2-methylphenyl]propanoic acid;3-[3-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]-4-(2-pyrrolidin-1-ylethoxy)phenyl]propanoic acid;(E)-3-[3-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]-4-(2-pyrrolidin-1-ylethoxy)phenyl]prop-2-enoic acid;bis((E)-3-[3-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]-5-(3-pyrrolidin-1-ylpropyl)phenyl]prop-2-enoic acid)
CID 163702932
3-[3-[3-ethoxy-4-(7-oxo-2,6-dihydrotriazolo[4,5-d]pyrimidin-5-yl)phenyl]-5-(2-pyrrolidin-1-ylethoxy)phenyl]propanoic acid
CID 154610010
3-[3-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]-4-(2-pyrrolidin-1-ylethoxy)phenyl]propanoic acid
CID 160510067
5-[3-cyclopentyloxy-4-(7-oxo-2,6-dihydrotriazolo[4,5-d]pyrimidin-5-yl)phenyl]pyridine-2-carboxylic acid
CID 154610140
(E)-3-[3-[3-ethoxy-4-(7-oxo-2,6-dihydrotriazolo[4,5-d]pyrimidin-5-yl)phenyl]phenyl]prop-2-enoic acid
CID 154610091
2-[[3-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]methyl]butanoic acid;3-[3-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]-2-methylpropanoic acid;(E)-3-[3-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]-2-methylprop-2-enoic acid;(Z)-3-[3-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]-2-methylprop-2-enoic acid;3-[3-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]propanoic acid;(E)-3-[3-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]prop-2-enoic acid
CID 159446331
3-[5-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]-2-methoxyphenyl]-2-methylpropanoic acid;(E)-3-[5-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]-2-methoxyphenyl]-2-methylprop-2-enoic acid;(2S)-3-[5-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]-2-propan-2-yloxyphenyl]-2-methylpropanoic acid;3-[5-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]-2-(2-pyrrolidin-1-ylethoxy)phenyl]propanoic acid;(E)-3-[5-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]-2-(2-pyrrolidin-1-ylethoxy)phenyl]prop-2-enoic acid
CID 158247822
3-[2-[2-(dimethylamino)ethoxy]-5-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]propanoic acid
CID 159827350
2-[2-ethoxy-4-(3-ethylphenyl)phenyl]-1,7-dihydropurin-6-one
CID 157299235
2-[4-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]anilino]acetic acid;2-[4-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenoxy]acetic acid;3-[3-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]propanoic acid;methane
CID 158891787

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]propanoic acid;5-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]pyridine-2-carboxylic acid;6-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]pyridine-3-carboxylic acid;4-[3-[2-(dimethylamino)ethoxy]-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]benzoic acid;4-[3-[3-(dimethylamino)propoxy]-4-(7-oxo-2,6-dihydrotriazolo[4,5-d]pyrimidin-5-yl)phenyl]benzoic acid;2-[2-ethoxy-4-(3-ethylphenyl)phenyl]-1,7-dihydropurin-6-one;4-[3-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]butanoic acid;3-[3-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]propanoic acid;(E)-3-[3-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]prop-2-enoic acid;4-[4-(6-oxo-1,7-dihydropurin-2-yl)-3-(2-pyrrolidin-1-ylethoxy)phenyl]benzoic acid;3-[3-[4-(6-oxo-1,7-dihydropurin-2-yl)-3-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]propanoic acid?
The IUPAC name of 3-[3-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]propanoic acid;5-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]pyridine-2-carboxylic acid;6-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]pyridine-3-carboxylic acid;4-[3-[2-(dimethylamino)ethoxy]-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]benzoic acid;4-[3-[3-(dimethylamino)propoxy]-4-(7-oxo-2,6-dihydrotriazolo[4,5-d]pyrimidin-5-yl)phenyl]benzoic acid;2-[2-ethoxy-4-(3-ethylphenyl)phenyl]-1,7-dihydropurin-6-one;4-[3-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]butanoic acid;3-[3-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]propanoic acid;(E)-3-[3-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]prop-2-enoic acid;4-[4-(6-oxo-1,7-dihydropurin-2-yl)-3-(2-pyrrolidin-1-ylethoxy)phenyl]benzoic acid;3-[3-[4-(6-oxo-1,7-dihydropurin-2-yl)-3-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]propanoic acid (CID 163421820) is 3-[3-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]propanoic acid;5-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]pyridine-2-carboxylic acid;6-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]pyridine-3-carboxylic acid;4-[3-[2-(dimethylamino)ethoxy]-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]benzoic acid;4-[3-[3-(dimethylamino)propoxy]-4-(7-oxo-2,6-dihydrotriazolo[4,5-d]pyrimidin-5-yl)phenyl]benzoic acid;2-[2-ethoxy-4-(3-ethylphenyl)phenyl]-1,7-dihydropurin-6-one;4-[3-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]butanoic acid;3-[3-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]propanoic acid;(E)-3-[3-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]prop-2-enoic acid;4-[4-(6-oxo-1,7-dihydropurin-2-yl)-3-(2-pyrrolidin-1-ylethoxy)phenyl]benzoic acid;3-[3-[4-(6-oxo-1,7-dihydropurin-2-yl)-3-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]propanoic acid.
What is the SMILES notation for 3-[3-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]propanoic acid;5-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]pyridine-2-carboxylic acid;6-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]pyridine-3-carboxylic acid;4-[3-[2-(dimethylamino)ethoxy]-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]benzoic acid;4-[3-[3-(dimethylamino)propoxy]-4-(7-oxo-2,6-dihydrotriazolo[4,5-d]pyrimidin-5-yl)phenyl]benzoic acid;2-[2-ethoxy-4-(3-ethylphenyl)phenyl]-1,7-dihydropurin-6-one;4-[3-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]butanoic acid;3-[3-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]propanoic acid;(E)-3-[3-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]prop-2-enoic acid;4-[4-(6-oxo-1,7-dihydropurin-2-yl)-3-(2-pyrrolidin-1-ylethoxy)phenyl]benzoic acid;3-[3-[4-(6-oxo-1,7-dihydropurin-2-yl)-3-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]propanoic acid?
The canonical SMILES for 3-[3-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]propanoic acid;5-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]pyridine-2-carboxylic acid;6-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]pyridine-3-carboxylic acid;4-[3-[2-(dimethylamino)ethoxy]-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]benzoic acid;4-[3-[3-(dimethylamino)propoxy]-4-(7-oxo-2,6-dihydrotriazolo[4,5-d]pyrimidin-5-yl)phenyl]benzoic acid;2-[2-ethoxy-4-(3-ethylphenyl)phenyl]-1,7-dihydropurin-6-one;4-[3-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]butanoic acid;3-[3-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]propanoic acid;(E)-3-[3-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]prop-2-enoic acid;4-[4-(6-oxo-1,7-dihydropurin-2-yl)-3-(2-pyrrolidin-1-ylethoxy)phenyl]benzoic acid;3-[3-[4-(6-oxo-1,7-dihydropurin-2-yl)-3-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]propanoic acid is CCOc1cc(-c2cccc(/C=C/C(=O)O)c2)ccc1-c1nc2nc[nH]c2c(=O)[nH]1.CCOc1cc(-c2cccc(CC)c2)ccc1-c1nc2nc[nH]c2c(=O)[nH]1.CCOc1cc(-c2cccc(CCC(=O)O)c2)ccc1-c1nc2nc[nH]c2c(=O)[nH]1.CCOc1cc(-c2cccc(CCCC(=O)O)c2)ccc1-c1nc2nc[nH]c2c(=O)[nH]1.CN(C)CCCOc1cc(-c2ccc(C(=O)O)cc2)ccc1-c1nc2n[nH]nc2c(=O)[nH]1.CN(C)CCOc1cc(-c2ccc(C(=O)O)cc2)ccc1-c1nc2nc[nH]c2c(=O)[nH]1.O=C(O)CCc1cccc(-c2ccc(-c3nc4nc[nH]c4c(=O)[nH]3)c(OC3CCCC3)c2)c1.O=C(O)CCc1cccc(-c2ccc(-c3nc4nc[nH]c4c(=O)[nH]3)c(OCCN3CCCC3)c2)c1.O=C(O)c1ccc(-c2ccc(-c3nc4nc[nH]c4c(=O)[nH]3)c(OC3CCCC3)c2)cn1.O=C(O)c1ccc(-c2ccc(-c3nc4nc[nH]c4c(=O)[nH]3)c(OC3CCCC3)c2)nc1.O=C(O)c1ccc(-c2ccc(-c3nc4nc[nH]c4c(=O)[nH]3)c(OCCN3CCCC3)c2)cc1.
What is the InChIKey of 3-[3-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]propanoic acid;5-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]pyridine-2-carboxylic acid;6-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]pyridine-3-carboxylic acid;4-[3-[2-(dimethylamino)ethoxy]-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]benzoic acid;4-[3-[3-(dimethylamino)propoxy]-4-(7-oxo-2,6-dihydrotriazolo[4,5-d]pyrimidin-5-yl)phenyl]benzoic acid;2-[2-ethoxy-4-(3-ethylphenyl)phenyl]-1,7-dihydropurin-6-one;4-[3-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]butanoic acid;3-[3-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]propanoic acid;(E)-3-[3-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]prop-2-enoic acid;4-[4-(6-oxo-1,7-dihydropurin-2-yl)-3-(2-pyrrolidin-1-ylethoxy)phenyl]benzoic acid;3-[3-[4-(6-oxo-1,7-dihydropurin-2-yl)-3-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]propanoic acid?
The InChIKey is AJBRVGYDZDIYGN-FYNVXUJKSA-N. The full InChI is InChI=1S/C26H27N5O4.C25H24N4O4.C24H23N5O4.C23H22N4O4.C22H22N6O4.2C22H19N5O4.C22H21N5O4.C22H20N4O4.C22H18N4O4.C21H20N4O2/c32-22(33)9-6-17-4-3-5-18(14-17)19-7-8-20(21(15-19)35-13-12-31-10-1-2-11-31)24-29-25-23(26(34)30-24)27-16-28-25;30-21(31)11-8-15-4-3-5-16(12-15)17-9-10-19(20(13-17)33-18-6-1-2-7-18)23-28-24-22(25(32)29-23)26-14-27-24;30-23-20-22(26-14-25-20)27-21(28-23)18-8-7-17(15-3-5-16(6-4-15)24(31)32)13-19(18)33-12-11-29-9-1-2-10-29;1-2-31-18-12-16(15-7-3-5-14(11-15)6-4-8-19(28)29)9-10-17(18)21-26-22-20(23(30)27-21)24-13-25-22;1-28(2)10-3-11-32-17-12-15(13-4-6-14(7-5-13)22(30)31)8-9-16(17)19-23-20-18(21(29)24-19)25-27-26-20;28-21-18-20(25-11-24-18)26-19(27-21)15-7-5-12(9-17(15)31-14-3-1-2-4-14)16-8-6-13(10-23-16)22(29)30;28-21-18-20(25-11-24-18)26-19(27-21)15-7-5-12(9-17(15)31-14-3-1-2-4-14)13-6-8-16(22(29)30)23-10-13;1-27(2)9-10-31-17-11-15(13-3-5-14(6-4-13)22(29)30)7-8-16(17)19-25-20-18(21(28)26-19)23-12-24-20;2*1-2-30-17-11-15(14-5-3-4-13(10-14)6-9-18(27)28)7-8-16(17)20-25-21-19(22(29)26-20)23-12-24-21;1-3-13-6-5-7-14(10-13)15-8-9-16(17(11-15)27-4-2)19-24-20-18(21(26)25-19)22-12-23-20/h3-5,7-8,14-16H,1-2,6,9-13H2,(H,32,33)(H2,27,28,29,30,34);3-5,9-10,12-14,18H,1-2,6-8,11H2,(H,30,31)(H2,26,27,28,29,32);3-8,13-14H,1-2,9-12H2,(H,31,32)(H2,25,26,27,28,30);3,5,7,9-13H,2,4,6,8H2,1H3,(H,28,29)(H2,24,25,26,27,30);4-9,12H,3,10-11H2,1-2H3,(H,30,31)(H2,23,24,25,26,27,29);2*5-11,14H,1-4H2,(H,29,30)(H2,24,25,26,27,28);3-8,11-12H,9-10H2,1-2H3,(H,29,30)(H2,23,24,25,26,28);3-5,7-8,10-12H,2,6,9H2,1H3,(H,27,28)(H2,23,24,25,26,29);3-12H,2H2,1H3,(H,27,28)(H2,23,24,25,26,29);5-12H,3-4H2,1-2H3,(H2,22,23,24,25,26)/b;;;;;;;;;9-6+;.
What are the key properties of 3-[3-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]propanoic acid;5-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]pyridine-2-carboxylic acid;6-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]pyridine-3-carboxylic acid;4-[3-[2-(dimethylamino)ethoxy]-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]benzoic acid;4-[3-[3-(dimethylamino)propoxy]-4-(7-oxo-2,6-dihydrotriazolo[4,5-d]pyrimidin-5-yl)phenyl]benzoic acid;2-[2-ethoxy-4-(3-ethylphenyl)phenyl]-1,7-dihydropurin-6-one;4-[3-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]butanoic acid;3-[3-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]propanoic acid;(E)-3-[3-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]prop-2-enoic acid;4-[4-(6-oxo-1,7-dihydropurin-2-yl)-3-(2-pyrrolidin-1-ylethoxy)phenyl]benzoic acid;3-[3-[4-(6-oxo-1,7-dihydropurin-2-yl)-3-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]propanoic acid?
3-[3-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]propanoic acid;5-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]pyridine-2-carboxylic acid;6-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]pyridine-3-carboxylic acid;4-[3-[2-(dimethylamino)ethoxy]-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]benzoic acid;4-[3-[3-(dimethylamino)propoxy]-4-(7-oxo-2,6-dihydrotriazolo[4,5-d]pyrimidin-5-yl)phenyl]benzoic acid;2-[2-ethoxy-4-(3-ethylphenyl)phenyl]-1,7-dihydropurin-6-one;4-[3-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]butanoic acid;3-[3-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]propanoic acid;(E)-3-[3-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]prop-2-enoic acid;4-[4-(6-oxo-1,7-dihydropurin-2-yl)-3-(2-pyrrolidin-1-ylethoxy)phenyl]benzoic acid;3-[3-[4-(6-oxo-1,7-dihydropurin-2-yl)-3-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]propanoic acid has a molecular weight of 4637.96 g/mol, XLogP of 37.36, 74 rotatable bonds, 32 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]propanoic acid;5-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]pyridine-2-carboxylic acid;6-[3-cyclopentyloxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]pyridine-3-carboxylic acid;4-[3-[2-(dimethylamino)ethoxy]-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]benzoic acid;4-[3-[3-(dimethylamino)propoxy]-4-(7-oxo-2,6-dihydrotriazolo[4,5-d]pyrimidin-5-yl)phenyl]benzoic acid;2-[2-ethoxy-4-(3-ethylphenyl)phenyl]-1,7-dihydropurin-6-one;4-[3-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]butanoic acid;3-[3-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]propanoic acid;(E)-3-[3-[3-ethoxy-4-(6-oxo-1,7-dihydropurin-2-yl)phenyl]phenyl]prop-2-enoic acid;4-[4-(6-oxo-1,7-dihydropurin-2-yl)-3-(2-pyrrolidin-1-ylethoxy)phenyl]benzoic acid;3-[3-[4-(6-oxo-1,7-dihydropurin-2-yl)-3-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]propanoic acid is sourced from PubChem (CID 163421820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).