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. Author manuscript; available in PMC: 2023 Aug 8.
Published in final edited form as: J Med Chem. 2022 Aug 19;65(17):11788–11817. doi: 10.1021/acs.jmedchem.2c00909

Figure 3.

Figure 3.

LUMO energies for different benzothiazole electrophiles. The LUMO energies depend on the nature of the electrophile as well as the nucleophilicity of lone pair of the heterocycle.