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Home Compound Library Sets CNS-Focused Library

CNS-Focused Library



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The basic requirements for the compounds that are supposed to penetrate the blood-brain barrier are somewhat different from those for the majority of drug discovery projects. Alongside the known problem with delivery of the large and non-polar compounds and their penetrability through the cell membrane, the other issue arises as well: small and polar compounds are not able to pass the Blood-Brain Barrier. Chemspace CNS-focused library comprises quite small, non-polar compounds that are also free from PAINS/toxic fragments and aggregators.

All compounds accord with the followinf physchem limitations:
― MW ≤ 450
― SlogP ≤ 5
― HBD count ≤ 4
― HBA count ≤ 8
― RB count ≤ 8
― H-bond count ≤ 8
― pKa 6.5-10.5, neutral or basic compounds
― TPSA 40-100 Å2

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