C[C@@H]1CN(C2COC2)CCN1c1ccc(Nc2cc(-c3ccnc(-n4ncc5cc(C(C)(C)C)cc(F)c5c4=O)c3CO)cn(C)c2=O)nc1
SMILES: C[C@@H]1CN(C2COC2)CCN1c1ccc(Nc2cc(-c3ccnc(-n4ncc5cc(C(C)(C)C)cc(F)c5c4=O)c3CO)cn(C)c2=O)nc1

Molecular Processing

Molecular formula
C37H41FN8O4
Molecular weight
680.79
Exact mass
680.3235
XLogP
4.12
TPSA
130.64
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
7
Heavy atoms
50
Rings
7
Aromatic rings
5
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.378
Molar refractivity
190.9

Supplementary Information

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