ZINClick v.18: Expanding Chemical Space of 1,2,3-Triazoles

Doriana Levré, Chiara Arcisto, Valentina Mercalli, Alberto Massarotti

Risultato della ricerca: Contributo su rivistaArticolo in rivistapeer review

Abstract

In the last years, we have investigated the click-chemical space covered by molecules containing the triazole ring and generated a database of 1,2,3-triazoles called ZINClick, starting from literature-reported alkynes and azides synthesizable in no more than three synthetic steps from commercially available products. This combinatorial database contains millions of 1,4-disubstituted 1,2,3-triazoles that are easily synthesizable. The library is regularly updated and can be freely downloaded from http://www.ZINClick.org. In this communication, the new implementation of ZINClick will be discussed as well as our new strategy for clustering the chemical space covered by 1,4-disubstituted 1,2,3-triazoles around their availability: from direct purchase to different degrees of synthetic feasibility of the compounds.

Lingua originaleInglese
pagine (da-a)1697-1702
Numero di pagine6
RivistaJournal of Chemical Information and Modeling
Volume59
Numero di pubblicazione5
DOI
Stato di pubblicazionePubblicato - 28 mag 2019

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