Global Discovery Chemistry , Novartis Institutes for Biomedical Research , CH-4056 Basel , Switzerland.
ACS Comb Sci. 2019 Jul 8;21(7):528-536. doi: 10.1021/acscombsci.9b00057. Epub 2019 Jun 17.
The production of two libraries based on spirocyclic indolinones is described. These libraries were selected from numerous spirocyclic indolinone scaffolds with a library evaluation procedure used routinely at Novartis, based on computed physicochemical properties and measured properties of prototype compounds. The library production yielded 176 and 428 compounds that could be isolated in sufficient amounts and purities based on two closely related scaffolds. The novelty and diversity analysis of these libraries shows their complementarity to the chemical space covered by the structures of the PubChem database.
介绍了基于螺环吲哚酮的两个文库的制作。这些文库是从众多螺环吲哚酮支架中选择出来的，使用的是诺华公司常规的文库评估程序，基于计算的物理化学性质和原型化合物的测量性质。文库制作得到了 176 个和 428 个化合物，它们可以根据两个密切相关的支架以足够的量和纯度分离出来。这些文库的新颖性和多样性分析表明，它们与 PubChem 数据库结构所涵盖的化学空间具有互补性。
