SMILES:
O=C([C@@H]1CCCN(c2ccc3nc(C4(c5ncccn5)CC4)[nH]c3n2)C1)N1CCCC1Molecular Processing
Molecular formula
C23H27N7O
Molecular weight
417.52
Exact mass
417.2277
XLogP
2.67
TPSA
90.9
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
31
Rings
6
Aromatic rings
3
Saturated rings
3
Aliphatic rings
3
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.522
Molar refractivity
116.69
Supplementary Information
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