Downes, Thomas D.; Jones, S. Paul; Klein, Hanna F.; Wheldon, Mary C.; Atobe, Masakazu; Bond, Paul S.; Firth, James D.; Chan, Ngai S.; Waddelove, Laura; Hubbard, Roderick E.; Blakemore, David C.; De Fusco, Claudia; Roughley, Stephen D.; Vidler, Lewis R.; Whatton, Maria Ann; Woolford, Alison J.-A.; Wrigley, Gail L.; O’Brien, Peter published an article about the compound: Piperidine-3-carboxylic acid( cas:498-95-3,SMILESS:O=C(C1CNCCC1)O ).SDS of cas: 498-95-3. Aromatic heterocyclic compounds can be classified according to the number of heteroatoms or the size of the ring. The authors also want to convey more information about this compound (cas:498-95-3) through the article.
Fragment screening collections were often predominantly populated with flat, 2D mols. A workflow for the design and synthesis of 56 3D disubstituted pyrrolidine and piperidine fragments that occupy under-represented areas of fragment space (as demonstrated by a principal moments of inertia (PMI) anal.) was described. A key, and unique, underpinning design feature of this fragment collection was that assessment of fragment shape and conformational diversity (by considering conformations up to 1.5 kcal mol-1 above the energy of the global min. energy conformer) was carried out prior to synthesis and was also used to select targets for synthesis. The 3D fragments were designed to contain suitable synthetic handles for future fragment elaboration. Finally, by comparing our 3D fragments with six com. libraries, it was clear that our collection was high three-dimensionality and shape diversity.
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Reference:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics