SMILES:
COc1ccccc1-c1ccc2cnc(Nc3ccc(N4CCCC(N5CCN(C)CC5)C4)cc3)nn12Molecular Processing
Molecular formula
C29H35N7O
Molecular weight
497.65
Exact mass
497.2903
XLogP
4.36
TPSA
61.17
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
37
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.379
Molar refractivity
149
Supplementary Information
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