SMILES:
CC(=O)Nc1cc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)ccc1C(C)CMolecular Processing
Molecular formula
C21H23N7O
Molecular weight
389.46
Exact mass
389.1964
XLogP
4
TPSA
107.14
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
29
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
112.46
Supplementary Information
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