SMILES:
CN1CCN([C@H]2CC[C@H](n3cc(-c4ccc(CNC(=O)c5ccccc5)cc4)c4c(N)ncnc43)CC2)CC1Molecular Processing
Molecular formula
C31H37N7O
Molecular weight
523.69
Exact mass
523.306
XLogP
4.34
TPSA
92.31
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
39
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.387
Molar refractivity
155.35
Supplementary Information
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