SMILES:
CC(=O)NCC1CN(c2ccc(N3CCC(C#N)(Nc4cccc(N)c4)CC3)c(F)c2)C(=O)O1Molecular Processing
Molecular formula
C24H27FN6O3
Molecular weight
466.52
Exact mass
466.2129
XLogP
2.84
TPSA
123.72
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
34
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
126.97
Supplementary Information
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