ZINClick v.18: Expanding Chemical Space of 1,2,3-Triazoles
Version 2 2018-12-05, 21:45
Version 1 2018-11-27, 16:24
Posted on 2018-12-05 - 21:45
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.
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Levré, Doriana; Arcisto, Chiara; Mercalli, Valentina; Massarotti, Alberto (2018). ZINClick v.18: Expanding Chemical Space of 1,2,3-Triazoles. ACS Publications. Collection. https://doi.org/10.1021/acs.jcim.8b00615
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AUTHORS (4)
DL
Doriana Levré
CA
Chiara Arcisto
VM
Valentina Mercalli
AM
Alberto Massarotti