Cell Permeability of Isomeric Macrocycles: Predictions and NMR Studies

[Image: see text] Conformation-dependent 3D descriptors have been shown to provide better predictions of the physicochemical properties of macrocycles than 2D descriptors. However, the computational identification of relevant conformations for macrocycles is nontrivial. Herein, we report that the Ca...

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Detalles Bibliográficos
Autores principales: Begnini, Fabio, Poongavanam, Vasanthanathan, Atilaw, Yoseph, Erdelyi, Mate, Schiesser, Stefan, Kihlberg, Jan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8201747/
https://www.ncbi.nlm.nih.gov/pubmed/34136079
http://dx.doi.org/10.1021/acsmedchemlett.1c00126

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8201747/
https://www.ncbi.nlm.nih.gov/pubmed/34136079
http://dx.doi.org/10.1021/acsmedchemlett.1c00126

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