COc1ccc(NC(=O)c2ccc(NCCNC(=O)c3c(C)[nH]c(C=NN=C4C(=O)Nc5ccc(F)cc54)c3C)nc2)c(N)c1
SMILES: COc1ccc(NC(=O)c2ccc(NCCNC(=O)c3c(C)[nH]c(C=NN=C4C(=O)Nc5ccc(F)cc54)c3C)nc2)c(N)c1

Molecular Processing

Molecular formula
C31H30FN9O4
Molecular weight
611.64
Exact mass
611.2405
XLogP
3.63
TPSA
187.98
H-bond donors
6
H-bond acceptors
9
Rotatable bonds
10
Heavy atoms
45
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.161
Molar refractivity
169.85

Supplementary Information

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