Name: 2-(cis-4-amino-cyclohexyl-amino)-6-(3-chloro-phenyl-amino)-9-ethyl-9H-purine
SMILES:
CCn1cnc2c(Nc3cccc(Cl)c3)nc(N[C@H]3CC[C@@H](N)CC3)nc21Molecular Processing
Molecular formula
C19H24ClN7
Molecular weight
385.9
Exact mass
385.1782
XLogP
3.93
TPSA
93.68
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.421
Molar refractivity
109.59
Supplementary Information
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Involved in 1 reactions→