Submission Details
Molecule(s):
O=C(/C=C1\C(=O)N(C(=O)CCl)c2ccccc21)c1ccccc1
Design Rationale:
Docked with MPro SARSCov2 (6YB7 PDB code) with covalent inhibitory fragments alpha-chloro-acetyl, and alpha-beta unsaturated amide. Fragment x0072 was selected, but was not considered any of fragments sugested.
Other Notes:
Easily synthesizable from isatine, then condensation with acetophenone, and last, acylation with chloroacetyl chloride.