2-[2-[(4-cyclohexylphenyl)methylamino]-6-(2,3,4,5,6-pentafluorophenoxy)purin-9-yl]acetic acid;2-[2-[(4-cyclohexylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-(4-nitrophenoxy)purin-9-yl]acetic acid;ethyl 2-[6-(cyclohexylamino)-2-[(4-cyclohexylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]purin-9-yl]acetate;ethyl 2-[2-[(4-cyclohexylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-(prop-2-enylamino)purin-9-yl]acetate

C120H142F5N23O18 — CID 158091124

IUPAC2-[2-[(4-cyclohexylphenyl)methylamino]-6-(2,3,4,5,6-pentafluorophenoxy)purin-9-yl]acetic acid;2-[2-[(4-cyclohexylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-(4-nitrophenoxy)purin-9-yl]acetic acid;ethyl 2-[6-(cyclohexylamino)-2-[(4-cyclohexylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]purin-9-yl]acetate;ethyl 2-[2-[(4-cyclohexylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-(prop-2-enylamino)purin-9-yl]acetate
SMILESC=CCNc1nc(N(Cc2ccc(C3CCCCC3)cc2)C(=O)OC(C)(C)C)nc2c1ncn2CC(=O)OCC.CC(C)(C)OC(=O)N(Cc1ccc(C2CCCCC2)cc1)c1nc(Oc2ccc([N+](=O)[O-])cc2)c2ncn(CC(=O)O)c2n1.CCOC(=O)Cn1cnc2c(NC3CCCCC3)nc(N(Cc3ccc(C4CCCCC4)cc3)C(=O)OC(C)(C)C)nc21.O=C(O)Cn1cnc2c(Oc3c(F)c(F)c(F)c(F)c3F)nc(NCc3ccc(C4CCCCC4)cc3)nc21
InChIInChI=1S/C33H46N6O4.C31H34N6O7.C30H40N6O4.C26H22F5N5O3/c1-5-42-27(40)21-38-22-34-28-29(35-26-14-10-7-11-15-26)36-31(37-30(28)38)39(32(41)43-33(2,3)4)20-23-16-18-25(19-17-23)24-12-8-6-9-13-24;1-31(2,3)44-30(40)36(17-20-9-11-22(12-10-20)21-7-5-4-6-8-21)29-33-27-26(32-19-35(27)18-25(38)39)28(34-29)43-24-15-13-23(14-16-24)37(41)42;1-6-17-31-26-25-27(35(20-32-25)19-24(37)39-7-2)34-28(33-26)36(29(38)40-30(3,4)5)18-21-13-15-23(16-14-21)22-11-9-8-10-12-22;27-17-18(28)20(30)23(21(31)19(17)29)39-25-22-24(36(12-33-22)11-16(37)38)34-26(35-25)32-10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h16-19,22,24,26H,5-15,20-21H2,1-4H3,(H,35,36,37);9-16,19,21H,4-8,17-18H2,1-3H3,(H,38,39);6,13-16,20,22H,1,7-12,17-19H2,2-5H3,(H,31,33,34);6-9,12,14H,1-5,10-11H2,(H,37,38)(H,32,34,35)
InChIKeyFOCOVGQQZQWDDI-UHFFFAOYSA-N
MW2289.59 g/mol
LogP25.76
Rot. Bonds36

About 2-[2-[(4-cyclohexylphenyl)methylamino]-6-(2,3,4,5,6-pentafluorophenoxy)purin-9-yl]acetic acid;2-[2-[(4-cyclohexylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-(4-nitrophenoxy)purin-9-yl]acetic acid;ethyl 2-[6-(cyclohexylamino)-2-[(4-cyclohexylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]purin-9-yl]acetate;ethyl 2-[2-[(4-cyclohexylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-(prop-2-enylamino)purin-9-yl]acetate

2-[2-[(4-cyclohexylphenyl)methylamino]-6-(2,3,4,5,6-pentafluorophenoxy)purin-9-yl]acetic acid;2-[2-[(4-cyclohexylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-(4-nitrophenoxy)purin-9-yl]acetic acid;ethyl 2-[6-(cyclohexylamino)-2-[(4-cyclohexylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]purin-9-yl]acetate;ethyl 2-[2-[(4-cyclohexylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-(prop-2-enylamino)purin-9-yl]acetate (PubChem CID 158091124) has the molecular formula C120H142F5N23O18 and a molecular weight of 2289.59 g/mol. Its IUPAC name is 2-[2-[(4-cyclohexylphenyl)methylamino]-6-(2,3,4,5,6-pentafluorophenoxy)purin-9-yl]acetic acid;2-[2-[(4-cyclohexylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-(4-nitrophenoxy)purin-9-yl]acetic acid;ethyl 2-[6-(cyclohexylamino)-2-[(4-cyclohexylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]purin-9-yl]acetate;ethyl 2-[2-[(4-cyclohexylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-(prop-2-enylamino)purin-9-yl]acetate.

Molecular Properties

Compound Name2-[2-[(4-cyclohexylphenyl)methylamino]-6-(2,3,4,5,6-pentafluorophenoxy)purin-9-yl]acetic acid;2-[2-[(4-cyclohexylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-(4-nitrophenoxy)purin-9-yl]acetic acid;ethyl 2-[6-(cyclohexylamino)-2-[(4-cyclohexylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]purin-9-yl]acetate;ethyl 2-[2-[(4-cyclohexylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-(prop-2-enylamino)purin-9-yl]acetate
PubChem CID158091124
Molecular FormulaC120H142F5N23O18
Molecular Weight2289.59 g/mol
Exact Mass2288.08
IUPAC Name2-[2-[(4-cyclohexylphenyl)methylamino]-6-(2,3,4,5,6-pentafluorophenoxy)purin-9-yl]acetic acid;2-[2-[(4-cyclohexylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-(4-nitrophenoxy)purin-9-yl]acetic acid;ethyl 2-[6-(cyclohexylamino)-2-[(4-cyclohexylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]purin-9-yl]acetate;ethyl 2-[2-[(4-cyclohexylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-(prop-2-enylamino)purin-9-yl]acetate
SMILESC=CCNc1nc(N(Cc2ccc(C3CCCCC3)cc2)C(=O)OC(C)(C)C)nc2c1ncn2CC(=O)OCC.CC(C)(C)OC(=O)N(Cc1ccc(C2CCCCC2)cc1)c1nc(Oc2ccc([N+](=O)[O-])cc2)c2ncn(CC(=O)O)c2n1.CCOC(=O)Cn1cnc2c(NC3CCCCC3)nc(N(Cc3ccc(C4CCCCC4)cc3)C(=O)OC(C)(C)C)nc21.O=C(O)Cn1cnc2c(Oc3c(F)c(F)c(F)c(F)c3F)nc(NCc3ccc(C4CCCCC4)cc3)nc21
InChIInChI=1S/C33H46N6O4.C31H34N6O7.C30H40N6O4.C26H22F5N5O3/c1-5-42-27(40)21-38-22-34-28-29(35-26-14-10-7-11-15-26)36-31(37-30(28)38)39(32(41)43-33(2,3)4)20-23-16-18-25(19-17-23)24-12-8-6-9-13-24;1-31(2,3)44-30(40)36(17-20-9-11-22(12-10-20)21-7-5-4-6-8-21)29-33-27-26(32-19-35(27)18-25(38)39)28(34-29)43-24-15-13-23(14-16-24)37(41)42;1-6-17-31-26-25-27(35(20-32-25)19-24(37)39-7-2)34-28(33-26)36(29(38)40-30(3,4)5)18-21-13-15-23(16-14-21)22-11-9-8-10-12-22;27-17-18(28)20(30)23(21(31)19(17)29)39-25-22-24(36(12-33-22)11-16(37)38)34-26(35-25)32-10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h16-19,22,24,26H,5-15,20-21H2,1-4H3,(H,35,36,37);9-16,19,21H,4-8,17-18H2,1-3H3,(H,38,39);6,13-16,20,22H,1,7-12,17-19H2,2-5H3,(H,31,33,34);6-9,12,14H,1-5,10-11H2,(H,37,38)(H,32,34,35)
InChIKeyFOCOVGQQZQWDDI-UHFFFAOYSA-N
XLogP25.76
TPSA487.91 Ų
H-Bond Donors5
H-Bond Acceptors35
Rotatable Bonds36
Heavy Atoms166
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002289.59
LogP ≤ 525.76
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Analyze 2-[2-[(4-cyclohexylphenyl)methylamino]-6-(2,3,4,5,6-pentafluorophenoxy)purin-9-yl]acetic acid;2-[2-[(4-cyclohexylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-(4-nitrophenoxy)purin-9-yl]acetic acid;ethyl 2-[6-(cyclohexylamino)-2-[(4-cyclohexylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]purin-9-yl]acetate;ethyl 2-[2-[(4-cyclohexylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-(prop-2-enylamino)purin-9-yl]acetate with MolForge

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Related Compounds

2-(2-((4-cyclohexylbenzyl)amino)-6-(4-nitrophenoxy)-9H-purin-9-yl)acetic acid
CID 53316471
Ethyl 2-[2-[(4-cyclohexylphenyl)methylamino]-6-(4-nitrophenoxy)purin-9-yl]acetate
CID 71770208
1-[4-(6-Aminopurin-9-yl)phenyl]-3-[2-pyrrolidin-3-yloxy-5-(trifluoromethyl)phenyl]urea;tert-butyl 3-[2-[[4-(6-aminopurin-9-yl)phenyl]carbamoylamino]-4-(trifluoromethyl)phenoxy]pyrrolidine-1-carboxylate;tert-butyl 3-[2-amino-4-(trifluoromethyl)phenoxy]pyrrolidine-1-carboxylate;(4-nitrophenyl) carbonochloridate
CID 159107521
Bis(4-[7-(3-aminopropoxy)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine);bis(2,2,2-trifluoroacetic acid)
CID 172875029
2-[2-[(4-Cyclohexylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-(4-nitrophenoxy)purin-9-yl]acetic acid
CID 56595800
Ethyl 2-[2-[(4-cyclohexylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-(4-nitrophenoxy)purin-9-yl]acetate
CID 56595895
2-[6-(Cyclohexylamino)-2-[(4-cyclohexylphenyl)methylamino]purin-9-yl]acetic acid;2-[2-[(4-cyclohexylphenyl)methylamino]-6-(cyclopentylamino)purin-9-yl]acetic acid;ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonyl-pentylamino]-6-(propan-2-ylamino)purin-9-yl]acetate;2-[2-[(2-methylpropan-2-yl)oxycarbonyl-pentylamino]-6-(3-nitrophenoxy)purin-9-yl]acetic acid
CID 157058967
Ethyl 2-[6-(benzylamino)-2-[(4-cyclohexylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]purin-9-yl]acetate;ethyl 2-[6-chloro-2-[(4-cyclohexylbenzoyl)amino]purin-9-yl]acetate;ethyl 2-[2-[(4-cyclohexylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-phenoxypurin-9-yl]acetate;ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonyl-pentylamino]-6-(2-methylpropylamino)purin-9-yl]acetate
CID 157173258
Ethyl 2-[2-[(4-cyclohexylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-(2,3,4,5,6-pentafluorophenoxy)purin-9-yl]acetate;ethyl 2-[2-[(4-cyclohexylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-(prop-2-enylamino)purin-9-yl]acetate;ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonyl-pentylamino]-6-(2-methylpropylamino)purin-9-yl]acetate
CID 157244453
2-[6-[Benzyl(methyl)amino]-2-(pentylamino)purin-9-yl]acetic acid;2-[2-[(4-cyclohexylphenyl)methylamino]-6-(3-nitrophenoxy)purin-9-yl]acetic acid;2-[6-morpholin-4-yl-2-(pentylamino)purin-9-yl]acetic acid
CID 157317871
2-[6-(Benzylamino)-2-(pentylamino)purin-9-yl]acetic acid;2-[6-(3-bromophenoxy)-2-[(4-cyclohexylphenyl)methylamino]purin-9-yl]acetic acid;2-[2-[(4-cyclohexylphenyl)methylamino]-6-(4-fluorophenoxy)purin-9-yl]acetic acid;2-[2-[(4-cyclohexylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-morpholin-4-ylpurin-9-yl]acetic acid
CID 157320113
2-[2-[(4-Cyclohexylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-(cyclopentylamino)purin-9-yl]acetic acid;2-[2-[(4-cyclohexylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-(4-fluorophenoxy)purin-9-yl]acetic acid;2-[2-[(4-cyclohexylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-(propylamino)purin-9-yl]acetic acid
CID 157333898

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-cyclohexylphenyl)methylamino]-6-(2,3,4,5,6-pentafluorophenoxy)purin-9-yl]acetic acid;2-[2-[(4-cyclohexylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-(4-nitrophenoxy)purin-9-yl]acetic acid;ethyl 2-[6-(cyclohexylamino)-2-[(4-cyclohexylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]purin-9-yl]acetate;ethyl 2-[2-[(4-cyclohexylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-(prop-2-enylamino)purin-9-yl]acetate?
The IUPAC name of 2-[2-[(4-cyclohexylphenyl)methylamino]-6-(2,3,4,5,6-pentafluorophenoxy)purin-9-yl]acetic acid;2-[2-[(4-cyclohexylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-(4-nitrophenoxy)purin-9-yl]acetic acid;ethyl 2-[6-(cyclohexylamino)-2-[(4-cyclohexylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]purin-9-yl]acetate;ethyl 2-[2-[(4-cyclohexylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-(prop-2-enylamino)purin-9-yl]acetate (CID 158091124) is 2-[2-[(4-cyclohexylphenyl)methylamino]-6-(2,3,4,5,6-pentafluorophenoxy)purin-9-yl]acetic acid;2-[2-[(4-cyclohexylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-(4-nitrophenoxy)purin-9-yl]acetic acid;ethyl 2-[6-(cyclohexylamino)-2-[(4-cyclohexylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]purin-9-yl]acetate;ethyl 2-[2-[(4-cyclohexylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-(prop-2-enylamino)purin-9-yl]acetate.
What is the SMILES notation for 2-[2-[(4-cyclohexylphenyl)methylamino]-6-(2,3,4,5,6-pentafluorophenoxy)purin-9-yl]acetic acid;2-[2-[(4-cyclohexylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-(4-nitrophenoxy)purin-9-yl]acetic acid;ethyl 2-[6-(cyclohexylamino)-2-[(4-cyclohexylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]purin-9-yl]acetate;ethyl 2-[2-[(4-cyclohexylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-(prop-2-enylamino)purin-9-yl]acetate?
The canonical SMILES for 2-[2-[(4-cyclohexylphenyl)methylamino]-6-(2,3,4,5,6-pentafluorophenoxy)purin-9-yl]acetic acid;2-[2-[(4-cyclohexylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-(4-nitrophenoxy)purin-9-yl]acetic acid;ethyl 2-[6-(cyclohexylamino)-2-[(4-cyclohexylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]purin-9-yl]acetate;ethyl 2-[2-[(4-cyclohexylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-(prop-2-enylamino)purin-9-yl]acetate is C=CCNc1nc(N(Cc2ccc(C3CCCCC3)cc2)C(=O)OC(C)(C)C)nc2c1ncn2CC(=O)OCC.CC(C)(C)OC(=O)N(Cc1ccc(C2CCCCC2)cc1)c1nc(Oc2ccc([N+](=O)[O-])cc2)c2ncn(CC(=O)O)c2n1.CCOC(=O)Cn1cnc2c(NC3CCCCC3)nc(N(Cc3ccc(C4CCCCC4)cc3)C(=O)OC(C)(C)C)nc21.O=C(O)Cn1cnc2c(Oc3c(F)c(F)c(F)c(F)c3F)nc(NCc3ccc(C4CCCCC4)cc3)nc21.
What is the InChIKey of 2-[2-[(4-cyclohexylphenyl)methylamino]-6-(2,3,4,5,6-pentafluorophenoxy)purin-9-yl]acetic acid;2-[2-[(4-cyclohexylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-(4-nitrophenoxy)purin-9-yl]acetic acid;ethyl 2-[6-(cyclohexylamino)-2-[(4-cyclohexylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]purin-9-yl]acetate;ethyl 2-[2-[(4-cyclohexylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-(prop-2-enylamino)purin-9-yl]acetate?
The InChIKey is FOCOVGQQZQWDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H46N6O4.C31H34N6O7.C30H40N6O4.C26H22F5N5O3/c1-5-42-27(40)21-38-22-34-28-29(35-26-14-10-7-11-15-26)36-31(37-30(28)38)39(32(41)43-33(2,3)4)20-23-16-18-25(19-17-23)24-12-8-6-9-13-24;1-31(2,3)44-30(40)36(17-20-9-11-22(12-10-20)21-7-5-4-6-8-21)29-33-27-26(32-19-35(27)18-25(38)39)28(34-29)43-24-15-13-23(14-16-24)37(41)42;1-6-17-31-26-25-27(35(20-32-25)19-24(37)39-7-2)34-28(33-26)36(29(38)40-30(3,4)5)18-21-13-15-23(16-14-21)22-11-9-8-10-12-22;27-17-18(28)20(30)23(21(31)19(17)29)39-25-22-24(36(12-33-22)11-16(37)38)34-26(35-25)32-10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h16-19,22,24,26H,5-15,20-21H2,1-4H3,(H,35,36,37);9-16,19,21H,4-8,17-18H2,1-3H3,(H,38,39);6,13-16,20,22H,1,7-12,17-19H2,2-5H3,(H,31,33,34);6-9,12,14H,1-5,10-11H2,(H,37,38)(H,32,34,35).
What are the key properties of 2-[2-[(4-cyclohexylphenyl)methylamino]-6-(2,3,4,5,6-pentafluorophenoxy)purin-9-yl]acetic acid;2-[2-[(4-cyclohexylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-(4-nitrophenoxy)purin-9-yl]acetic acid;ethyl 2-[6-(cyclohexylamino)-2-[(4-cyclohexylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]purin-9-yl]acetate;ethyl 2-[2-[(4-cyclohexylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-(prop-2-enylamino)purin-9-yl]acetate?
2-[2-[(4-cyclohexylphenyl)methylamino]-6-(2,3,4,5,6-pentafluorophenoxy)purin-9-yl]acetic acid;2-[2-[(4-cyclohexylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-(4-nitrophenoxy)purin-9-yl]acetic acid;ethyl 2-[6-(cyclohexylamino)-2-[(4-cyclohexylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]purin-9-yl]acetate;ethyl 2-[2-[(4-cyclohexylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-(prop-2-enylamino)purin-9-yl]acetate has a molecular weight of 2289.59 g/mol, XLogP of 25.76, 36 rotatable bonds, 5 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-cyclohexylphenyl)methylamino]-6-(2,3,4,5,6-pentafluorophenoxy)purin-9-yl]acetic acid;2-[2-[(4-cyclohexylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-(4-nitrophenoxy)purin-9-yl]acetic acid;ethyl 2-[6-(cyclohexylamino)-2-[(4-cyclohexylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]purin-9-yl]acetate;ethyl 2-[2-[(4-cyclohexylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-(prop-2-enylamino)purin-9-yl]acetate is sourced from PubChem (CID 158091124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).