Name: trans-5-iodo-7-[4-(4-methylpiperazino)cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine hydrochloride
SMILES:
CN1CCN([C@H]2CC[C@H](n3cc(I)c4c(N)ncnc43)CC2)CC1.ClMolecular Processing
Molecular formula
C17H26ClIN6
Molecular weight
476.79
Exact mass
476.0952
XLogP
2.77
TPSA
63.21
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
25
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
2
Fraction Csp3
0.647
Molar refractivity
112.27
Supplementary Information
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