SMILES:
Cc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CN3CC(C(=O)N4CCCC4)C3)n(C)c2n1Molecular Processing
Molecular formula
C27H33N9O2
Molecular weight
515.62
Exact mass
515.2757
XLogP
1.9
TPSA
97.44
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
38
Rings
7
Aromatic rings
4
Saturated rings
3
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.519
Molar refractivity
143.28
Supplementary Information
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