Name: cis-3-[4-(benzyloxy)phenyl]-1-[4-(4-methylpiperazino)cyclohexyl]-1H-pyrazolo[3,4-d]pyrmidin-4-amine
SMILES:
CN1CCN([C@H]2CC[C@@H](n3nc(-c4ccc(OCc5ccccc5)cc4)c4c(N)ncnc43)CC2)CC1Molecular Processing
Molecular formula
C29H35N7O
Molecular weight
497.65
Exact mass
497.2903
XLogP
4.39
TPSA
85.33
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
37
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.414
Molar refractivity
146.31
Supplementary Information
Details werden geladen…
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