SMILES:
COc1cc(-c2cn([C@H]3CC[C@@H](N4CCN(C)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)CCc1ccccc1Molecular Processing
Molecular formula
C33H41N7O2
Molecular weight
567.74
Exact mass
567.3322
XLogP
4.99
TPSA
101.54
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
42
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.424
Molar refractivity
167.68
Supplementary Information
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