SMILES:
CC(=O)Nc1cc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)ccc1N1CC[C@H](N(C)C)C1Molecular Processing
Molecular formula
C24H29N9O
Molecular weight
459.56
Exact mass
459.2495
XLogP
3.02
TPSA
113.62
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
34
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
132.68
Supplementary Information
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