SMILES:
COc1cc(CCc2cc(NC(=O)c3cnc(N4CCN5CCCC5C4)nc3)[nH]n2)cc(OC)c1Molecular Processing
Molecular formula
C25H31N7O3
Molecular weight
477.57
Exact mass
477.2488
XLogP
2.54
TPSA
108.5
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
35
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.44
Molar refractivity
132.33
Supplementary Information
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