4-(6-cyclohexylmethoxy-9H-purin-2-ylamino)-N,N-diethylbenzamide

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 12
Total Number of Articles : 4
PubChem 10202471
Molecular Formula

C23H30N6O2

SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)NC2=NC3=C(C(=N2)OCC4CCCCC4)NC=N3

InChI

InChI=1S/C23H30N6O2/c1-3-29(4-2)22(30)17-10-12-18(13-11-17)26-23-27-20-19(24-15-25-20)21(28-23)31-14-16-8-6-5-7-9-16/h10-13,15-16H,3-9,14H2,1-2H3,(H2,24,25,26,27,28)

synonyms
  • NU6140
  • 444723-13-1
  • Cdk2 inhibitor IV
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Properties
Property Value
MW 422.5 g/mol
HBD 2
HBA 6
Rotatable Bond Count 8
Exact Mass 422.24302422 g/mol
Monoisotopic Mass 422.24302422 g/mol
Heavy Atom Count 31
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 560
xlogp 4.8
Topological Polar Surface Area 96