Name: cis-5-iodo-7-[4-(4-methylpiperazino)cyclohexyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILES:
CN1CCN([C@H]2CC[C@@H](n3cc(I)c4c(N)ncnc43)CC2)CC1Molecular Processing
Molecular formula
C17H25IN6
Molecular weight
440.33
Exact mass
440.1185
XLogP
2.35
TPSA
63.21
H-bond donors
1
H-bond acceptors
5
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
7
Covalent units
1
Fraction Csp3
0.647
Molar refractivity
105.02
Supplementary Information
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