Cc1n[nH]c(C)c1-c1cc2c(ccn2C)nc1[C@H](C)Nc1nc(N)nc(N)c1C#N
SMILES: Cc1n[nH]c(C)c1-c1cc2c(ccn2C)nc1[C@H](C)Nc1nc(N)nc(N)c1C#N

Molecular Processing

Molecular formula
C20H22N10
Molecular weight
402.47
Exact mass
402.2029
XLogP
2.58
TPSA
160.14
H-bond donors
4
H-bond acceptors
8
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
0.25
Molar refractivity
115.38

Supplementary Information

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