SMILES:
CC1(C#Cc2cnc3c(c2)[C@]2(CSC(NC(=O)OC(C)(C)C)=N2)c2cc(-c4cccnc4F)ccc2O3)COC1Molecular Processing
Molecular formula
C30H27FN4O4S
Molecular weight
558.64
Exact mass
558.1737
XLogP
5.65
TPSA
94.93
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
1
Heavy atoms
40
Rings
6
Aromatic rings
3
Saturated rings
1
Aliphatic rings
3
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
149.79
Supplementary Information
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