(E)-N-[3-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-4-methoxyphenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide;(E)-N-[3-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-4-methylphenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide;(E)-N-[3-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-5-methylphenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide;(E)-N-[5-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-2-methylphenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide

C132H132N28O13 — CID 158306542

IUPAC(E)-N-[3-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-4-methoxyphenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide;(E)-N-[3-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-4-methylphenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide;(E)-N-[3-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-5-methylphenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide;(E)-N-[5-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-2-methylphenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide
SMILESCOc1ccc(N(C)C(=O)/C=C/CN(C)C2CC2)cc1-n1c(=O)n(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc21.Cc1cc(N(C)C(=O)/C=C/CN(C)C2CC2)cc(-n2c(=O)n(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)c1.Cc1ccc(-n2c(=O)n(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)cc1N(C)C(=O)/C=C/CN(C)C1CC1.Cc1ccc(N(C)C(=O)/C=C/CN(C)C2CC2)cc1-n1c(=O)n(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc21
InChIInChI=1S/C33H33N7O4.3C33H33N7O3/c1-37(22-11-12-22)19-7-10-29(41)38(2)24-15-18-28(43-3)27(20-24)40-32-30(31(34)35-21-36-32)39(33(40)42)23-13-16-26(17-14-23)44-25-8-5-4-6-9-25;1-22-18-25(38(3)29(41)10-7-17-37(2)23-11-12-23)20-26(19-22)40-32-30(31(34)35-21-36-32)39(33(40)42)24-13-15-28(16-14-24)43-27-8-5-4-6-9-27;1-22-11-12-25(20-28(22)38(3)29(41)10-7-19-37(2)23-13-14-23)40-32-30(31(34)35-21-36-32)39(33(40)42)24-15-17-27(18-16-24)43-26-8-5-4-6-9-26;1-22-11-12-25(38(3)29(41)10-7-19-37(2)23-13-14-23)20-28(22)40-32-30(31(34)35-21-36-32)39(33(40)42)24-15-17-27(18-16-24)43-26-8-5-4-6-9-26/h4-10,13-18,20-22H,11-12,19H2,1-3H3,(H2,34,35,36);4-10,13-16,18-21,23H,11-12,17H2,1-3H3,(H2,34,35,36);2*4-12,15-18,20-21,23H,13-14,19H2,1-3H3,(H2,34,35,36)/b4*10-7+
InChIKeyGNDMMVRESKEVCP-RXYSHFPCSA-N
MW2318.69 g/mol
LogP19.17
Rot. Bonds37

About (E)-N-[3-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-4-methoxyphenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide;(E)-N-[3-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-4-methylphenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide;(E)-N-[3-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-5-methylphenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide;(E)-N-[5-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-2-methylphenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide

(E)-N-[3-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-4-methoxyphenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide;(E)-N-[3-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-4-methylphenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide;(E)-N-[3-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-5-methylphenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide;(E)-N-[5-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-2-methylphenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide (PubChem CID 158306542) has the molecular formula C132H132N28O13 and a molecular weight of 2318.69 g/mol. Its IUPAC name is (E)-N-[3-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-4-methoxyphenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide;(E)-N-[3-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-4-methylphenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide;(E)-N-[3-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-5-methylphenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide;(E)-N-[5-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-2-methylphenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-4-methoxyphenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide;(E)-N-[3-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-4-methylphenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide;(E)-N-[3-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-5-methylphenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide;(E)-N-[5-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-2-methylphenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide
PubChem CID158306542
Molecular FormulaC132H132N28O13
Molecular Weight2318.69 g/mol
Exact Mass2317.05
IUPAC Name(E)-N-[3-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-4-methoxyphenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide;(E)-N-[3-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-4-methylphenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide;(E)-N-[3-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-5-methylphenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide;(E)-N-[5-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-2-methylphenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide
SMILESCOc1ccc(N(C)C(=O)/C=C/CN(C)C2CC2)cc1-n1c(=O)n(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc21.Cc1cc(N(C)C(=O)/C=C/CN(C)C2CC2)cc(-n2c(=O)n(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)c1.Cc1ccc(-n2c(=O)n(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)cc1N(C)C(=O)/C=C/CN(C)C1CC1.Cc1ccc(N(C)C(=O)/C=C/CN(C)C2CC2)cc1-n1c(=O)n(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc21
InChIInChI=1S/C33H33N7O4.3C33H33N7O3/c1-37(22-11-12-22)19-7-10-29(41)38(2)24-15-18-28(43-3)27(20-24)40-32-30(31(34)35-21-36-32)39(33(40)42)23-13-16-26(17-14-23)44-25-8-5-4-6-9-25;1-22-18-25(38(3)29(41)10-7-17-37(2)23-11-12-23)20-26(19-22)40-32-30(31(34)35-21-36-32)39(33(40)42)24-13-15-28(16-14-24)43-27-8-5-4-6-9-27;1-22-11-12-25(20-28(22)38(3)29(41)10-7-19-37(2)23-13-14-23)40-32-30(31(34)35-21-36-32)39(33(40)42)24-15-17-27(18-16-24)43-26-8-5-4-6-9-26;1-22-11-12-25(38(3)29(41)10-7-19-37(2)23-13-14-23)20-28(22)40-32-30(31(34)35-21-36-32)39(33(40)42)24-15-17-27(18-16-24)43-26-8-5-4-6-9-26/h4-10,13-18,20-22H,11-12,19H2,1-3H3,(H2,34,35,36);4-10,13-16,18-21,23H,11-12,17H2,1-3H3,(H2,34,35,36);2*4-12,15-18,20-21,23H,13-14,19H2,1-3H3,(H2,34,35,36)/b4*10-7+
InChIKeyGNDMMVRESKEVCP-RXYSHFPCSA-N
XLogP19.17
TPSA455.27 Ų
H-Bond Donors4
H-Bond Acceptors37
Rotatable Bonds37
Heavy Atoms173
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002318.69
LogP ≤ 519.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-[3-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-4-methoxyphenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide;(E)-N-[3-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-4-methylphenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide;(E)-N-[3-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-5-methylphenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide;(E)-N-[5-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-2-methylphenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide with MolForge

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Related Compounds

(E)-N-[3-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-5-methoxyphenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide;(E)-N-[3-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]phenyl]-N-methylhex-2-enamide;(E)-N-[3-[6-amino-8-oxo-7-(4-phenylmethoxyphenyl)purin-9-yl]phenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide;hydrochloride
CID 161032256
N-[3-[6-amino-7-(4-benzoylphenyl)-8-oxopurin-9-yl]phenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide
CID 154061146
(E)-N-[3-[6-amino-7-[4-[(3-fluorophenyl)methoxy]phenyl]-8-oxopurin-9-yl]phenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide;(E)-N-[3-[6-amino-7-[4-[(3-methylphenyl)methoxy]phenyl]-8-oxopurin-9-yl]phenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide;(E)-N-[3-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]phenyl]-N-methyl-3-pyridin-2-ylprop-2-enamide
CID 159360960
CID 158173442
CID 158173442
N-[3-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]phenyl]-N-methyl-4-morpholin-4-ylbut-2-enamide
CID 154061144
(E)-N-[4-[6-amino-7-(4-chlorophenyl)-8-oxopurin-9-yl]phenyl]-4-[cyclobutyl(methyl)amino]-N-methylbut-2-enamide;(E)-N-[4-[6-amino-7-(4-chlorophenyl)-8-oxopurin-9-yl]phenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide;(E)-N-[4-[6-amino-7-(4-chlorophenyl)-8-oxopurin-9-yl]phenyl]-4-(dimethylamino)-N-methylbut-2-enamide
CID 162187950
6-amino-9-[(3R)-1-[4-[cyclopropyl(methyl)amino]but-2-enoyl]pyrrolidin-3-yl]-7-(4-phenoxyphenyl)purin-8-one
CID 123635135
(E)-N-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-4-[cyclobutyl(methyl)amino]-N-methylbut-2-enamide;(E)-N-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide
CID 157175687
N-[3-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide
CID 78039053
[3-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-5-methoxyphenyl]carbamic acid
CID 152642129
N-[3-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]phenyl]-4-(dimethylamino)but-2-enamide
CID 78145004
N-[3-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]phenyl]-N-methylpentanamide
CID 121403070

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-4-methoxyphenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide;(E)-N-[3-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-4-methylphenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide;(E)-N-[3-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-5-methylphenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide;(E)-N-[5-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-2-methylphenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide?
The IUPAC name of (E)-N-[3-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-4-methoxyphenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide;(E)-N-[3-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-4-methylphenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide;(E)-N-[3-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-5-methylphenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide;(E)-N-[5-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-2-methylphenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide (CID 158306542) is (E)-N-[3-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-4-methoxyphenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide;(E)-N-[3-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-4-methylphenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide;(E)-N-[3-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-5-methylphenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide;(E)-N-[5-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-2-methylphenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide.
What is the SMILES notation for (E)-N-[3-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-4-methoxyphenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide;(E)-N-[3-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-4-methylphenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide;(E)-N-[3-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-5-methylphenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide;(E)-N-[5-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-2-methylphenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide?
The canonical SMILES for (E)-N-[3-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-4-methoxyphenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide;(E)-N-[3-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-4-methylphenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide;(E)-N-[3-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-5-methylphenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide;(E)-N-[5-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-2-methylphenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide is COc1ccc(N(C)C(=O)/C=C/CN(C)C2CC2)cc1-n1c(=O)n(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc21.Cc1cc(N(C)C(=O)/C=C/CN(C)C2CC2)cc(-n2c(=O)n(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)c1.Cc1ccc(-n2c(=O)n(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)cc1N(C)C(=O)/C=C/CN(C)C1CC1.Cc1ccc(N(C)C(=O)/C=C/CN(C)C2CC2)cc1-n1c(=O)n(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc21.
What is the InChIKey of (E)-N-[3-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-4-methoxyphenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide;(E)-N-[3-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-4-methylphenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide;(E)-N-[3-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-5-methylphenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide;(E)-N-[5-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-2-methylphenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide?
The InChIKey is GNDMMVRESKEVCP-RXYSHFPCSA-N. The full InChI is InChI=1S/C33H33N7O4.3C33H33N7O3/c1-37(22-11-12-22)19-7-10-29(41)38(2)24-15-18-28(43-3)27(20-24)40-32-30(31(34)35-21-36-32)39(33(40)42)23-13-16-26(17-14-23)44-25-8-5-4-6-9-25;1-22-18-25(38(3)29(41)10-7-17-37(2)23-11-12-23)20-26(19-22)40-32-30(31(34)35-21-36-32)39(33(40)42)24-13-15-28(16-14-24)43-27-8-5-4-6-9-27;1-22-11-12-25(20-28(22)38(3)29(41)10-7-19-37(2)23-13-14-23)40-32-30(31(34)35-21-36-32)39(33(40)42)24-15-17-27(18-16-24)43-26-8-5-4-6-9-26;1-22-11-12-25(38(3)29(41)10-7-19-37(2)23-13-14-23)20-28(22)40-32-30(31(34)35-21-36-32)39(33(40)42)24-15-17-27(18-16-24)43-26-8-5-4-6-9-26/h4-10,13-18,20-22H,11-12,19H2,1-3H3,(H2,34,35,36);4-10,13-16,18-21,23H,11-12,17H2,1-3H3,(H2,34,35,36);2*4-12,15-18,20-21,23H,13-14,19H2,1-3H3,(H2,34,35,36)/b4*10-7+.
What are the key properties of (E)-N-[3-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-4-methoxyphenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide;(E)-N-[3-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-4-methylphenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide;(E)-N-[3-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-5-methylphenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide;(E)-N-[5-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-2-methylphenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide?
(E)-N-[3-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-4-methoxyphenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide;(E)-N-[3-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-4-methylphenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide;(E)-N-[3-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-5-methylphenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide;(E)-N-[5-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-2-methylphenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide has a molecular weight of 2318.69 g/mol, XLogP of 19.17, 37 rotatable bonds, 4 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-4-methoxyphenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide;(E)-N-[3-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-4-methylphenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide;(E)-N-[3-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-5-methylphenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide;(E)-N-[5-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]-2-methylphenyl]-4-[cyclopropyl(methyl)amino]-N-methylbut-2-enamide is sourced from PubChem (CID 158306542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).