SMILES:
CN1CCC(NC(=O)c2cccc(Nc3nccc(-c4cnc(N5CC[C@H](F)C5)c(C#N)c4)n3)c2)CC1Molecular Processing
Molecular formula
C27H29FN8O
Molecular weight
500.58
Exact mass
500.2448
XLogP
3.53
TPSA
110.07
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
37
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
0.37
Molar refractivity
139.41
Supplementary Information
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