COc1cc(CCc2cc(NC(=O)c3cnc(N4C[C@@H](C)N[C@@H](C)C4)cn3)[nH]n2)cc(OC)c1
SMILES: COc1cc(CCc2cc(NC(=O)c3cnc(N4C[C@@H](C)N[C@@H](C)C4)cn3)[nH]n2)cc(OC)c1

Molecular Processing

Molecular formula
C24H31N7O3
Molecular weight
465.56
Exact mass
465.2488
XLogP
2.44
TPSA
117.29
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
34
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
129.8

Supplementary Information

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