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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

5-chloro-N-{[(2R)-1-methanesulfonylpyrrolidin-2-yl]methyl}-2,3-dihydro-1H-inden-1-amine
CSC025822839
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N,N-dimethyl-1-[1-(propan-2-yl)-1H-imidazole-4-carbonyl]azetidin-3-amine
CSC025848795
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1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidine
CSC026253911
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rac-N-[(1R,3S)-2,2-dimethyl-3-phenylcyclopropyl]-3,3,3-trifluoropropane-1-sulfonamide
CSC027859345
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