الاسم: cis-3-iodo-1-[4-(4-methylpiperazino)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILES:
CN1CCN([C@H]2CC[C@@H](n3nc(I)c4c(N)ncnc43)CC2)CC1Molecular Processing
Molecular formula
C16H24IN7
Molecular weight
441.32
Exact mass
441.1138
XLogP
1.74
TPSA
76.1
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
24
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.688
Molar refractivity
102.82
Supplementary Information
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