SMILES:
CC(Nc1nc(N)nc(N)c1C#N)c1nc2ccn(C)c2cc1N1CC2(COC2)C1Molecular Processing
Molecular formula
C20H23N9O
Molecular weight
405.47
Exact mass
405.2026
XLogP
1.41
TPSA
143.93
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
4
Heavy atoms
30
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
113.79
Supplementary Information
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