SMILES:
COc1cc(-c2cn(CCN3CCC3)c(C3CCN(c4ncnc(N)c4C(N)=O)CC3)n2)ccc1FMolecular Processing
Molecular formula
C25H31FN8O2
Molecular weight
494.58
Exact mass
494.2554
XLogP
2.26
TPSA
128.42
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
36
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.44
Molar refractivity
134.38
Supplementary Information
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