Name: cis-3-(4-Aminophenyl)-1-[4-(4-methylpiperazino)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILES:
CN1CCN([C@H]2CC[C@@H](n3nc(-c4ccc(N)cc4)c4c(N)ncnc43)CC2)CC1Molecular Processing
Molecular formula
C22H30N8
Molecular weight
406.54
Exact mass
406.2593
XLogP
2.39
TPSA
102.12
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
30
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
119.95
Supplementary Information
Details werden geladen…
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