SMILES:
Cc1ccn(-c2ccc(Nc3nc(NC4CCCCC4N)ncc3C(N)=O)cc2)n1Molecular Processing
Molecular formula
C21H26N8O
Molecular weight
406.49
Exact mass
406.223
XLogP
2.5
TPSA
136.77
H-bond donors
4
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
30
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
0.333
Molar refractivity
115.99
Supplementary Information
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