SMILES:
CC1COCCN1c1nc(-c2ccc(NC(=O)Nc3ccnn3C)cc2)nc2c1CCN(c1ncccn1)C2Molecular Processing
Molecular formula
C27H30N10O2
Molecular weight
526.61
Exact mass
526.2553
XLogP
3.1
TPSA
126.22
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
5
Heavy atoms
39
Rings
6
Aromatic rings
4
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
147.73
Supplementary Information
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