SMILES:
c1cnc(N[C@H]2CC[C@@H](Nc3cc(N4CCOCC4)cc4nonc34)CC2)nc1Molecular Processing
Molecular formula
C20H25N7O2
Molecular weight
395.47
Exact mass
395.207
XLogP
2.68
TPSA
101.23
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
5
Heavy atoms
29
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
110.16
Supplementary Information
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