The reaction rate of a catalyzed reaction is faster than the reaction rate of the uncatalyzed reaction at the same temperature. 591769-05-0, Name is 3-Cyclopentylacrylonitrile, SMILES is N#C/C=C/C1CCCC1, in an article , author is Hermann, Markus R., once mentioned of 591769-05-0, Category: nitriles-buliding-blocks.
Covalent inhibitor reactivity prediction by the electrophilicity index-in and out of scope
Drug discovery is an expensive and time-consuming process. To make this process more efficient quantum chemistry methods can be employed. The electrophilicity index is one property that can be calculated by quantum chemistry methods, and if calculated correctly gives insight into the reactivity of covalent inhibitors. Herein we present the usage of the electrophilicity index on three common warheads, i.e., acrylamides, 2-chloroacetamides, and propargylamides. We thoroughly examine the properties of the electrophilicity index, show which pitfalls should be avoided, and what the requirements to successfully apply the electrophilicity index are.
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