SMILES:
Cc1noc(C)c1-c1cc2c(ccn2C)nc1[C@H](C)Nc1nc(N)nc(N)c1C#NMolecular Processing
Molecular formula
C20H21N9O
Molecular weight
403.45
Exact mass
403.1869
XLogP
2.84
TPSA
157.49
H-bond donors
3
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
0.25
Molar refractivity
113.29
Supplementary Information
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