SMILES:
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2ccn(C)c2cc1-c1ccnc(O)c1Molecular Processing
Molecular formula
C20H19N9O
Molecular weight
401.43
Exact mass
401.1713
XLogP
2.34
TPSA
164.58
H-bond donors
4
H-bond acceptors
9
Rotatable bonds
4
Heavy atoms
30
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.15
Molar refractivity
113.22
Supplementary Information
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