SMILES:
CC1(C)CCN(C(=O)c2ccncc2NC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)C1Molecular Processing
Molecular formula
C25H27N7O2
Molecular weight
457.54
Exact mass
457.2226
XLogP
4.01
TPSA
113
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
34
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.36
Molar refractivity
128.02
Supplementary Information
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