SMILES:
Cc1cc(C)n(-c2ccc(Nc3nc(NC4CCCCC4N)ncc3C(N)=O)cc2)n1Molecular Processing
Molecular formula
C22H28N8O
Molecular weight
420.52
Exact mass
420.2386
XLogP
2.8
TPSA
136.77
H-bond donors
4
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
120.72
Supplementary Information
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