CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cccc(C(=O)NCc2ccc(F)c(-c3cccc(CN4CC5CC4CN5C(=O)OC(C)(C)C)c3)c2)c1
SMILES: CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cccc(C(=O)NCc2ccc(F)c(-c3cccc(CN4CC5CC4CN5C(=O)OC(C)(C)C)c3)c2)c1

Molecular Processing

Molecular formula
C48H57FN8O5
Molecular weight
845.03
Exact mass
844.4436
XLogP
7.46
TPSA
142.95
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
13
Heavy atoms
62
Rings
8
Aromatic rings
5
Saturated rings
3
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
236.21

Supplementary Information

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