SMILES:
COc1cc2ncnc(C3CCN(C(=O)Nc4ccc(-n5ccnc5)cc4)CC3)c2cc1OCMolecular Processing
Molecular formula
C25H26N6O3
Molecular weight
458.52
Exact mass
458.2066
XLogP
4.24
TPSA
94.4
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
34
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.28
Molar refractivity
128.77
Supplementary Information
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