2. Screening Libraries
  3. Asinex CNS Macrocycles Library

Asinex CNS Macrocycles Library

(1,122) Cat. No.: HY-L0122V
Library Contents: XLSX PDF

Several CNS multi-parameter scoring approaches have been reported: CNS-MPO, CNS-MPO V.2, CNS-TEMPO, which suggesting an algorithm to predict CNS-ike properties of new chemical entities. We have applied these scoring algorithms to select macrocycles satisfying multiple cut-offs and structural desirability criteria. The resulting set consists of 1,122 macrocyclic compounds with CNS-MPO > 4, CNS-MPO.v2 > 4, and CNS-TEMPO < 4 for CNS-related drug discovery and research.

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Description
& Advantages

•   A unique collection of 1,122 highly CNS-like diverse molecules.

•   Compatible with MW<500, cLogP=2.6-4.5, TPSA= 40-100Å, pKa=8, number of basic N<=1, rotatable bonds:1-4, aromatic rings:1-2, number of H-acceptors:2-3, number of H-donors<=1.

•   Carbon/Heteroatom ratio:2.1-4.5.

•   Databases and compounds are provided by Asinex.

Product Details
Formulation:
来源于 Asinex，包含1,122个高CNS-like的多样性分子，其中CNS-MPO > 4，CNS-MPO.v2 > 4， CNS-TEMPO < 4。适合用于中枢神经系统相关药物的发现和研究。
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Contents of Asinex CNS Macrocycles Library
Documentation

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