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Synthesis, characterization, crystal structures, antitumor activity, and computational study of novel thiosemicarbazone derivatives from thiazol-2/5-carbaldehyde

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TL;DR

HOMO – LUMO and global reactivity analyses indicate that compounds 3 and 6 possess higher chemical reactivity and exhibit lower kinetic stability than the reference inhibitor BI2536 of the Polo-like kinase 1.

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