SMILES:
COc1ccc2ncc(F)c(CCN3CC(O)C(CNC(=O)c4ccc5c(n4)NC(=O)CO5)C3)c2n1Molecular Processing
Molecular formula
C24H25FN6O5
Molecular weight
496.5
Exact mass
496.187
XLogP
0.77
TPSA
138.8
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
7
Heavy atoms
36
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
126.38
Supplementary Information
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