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Inhibitor Report for: ZINC20166201-cpd8

ZINC20166201-cpd8	Type	Piperazine
		Quinoline
	Other_Name (8)
	Chemical_Nomenclature	(4-benzylpiperazin-1-yl)-[2-(4-methoxyphenyl)quinolin-4-yl]methanone
	Formula	C28H27N3O2
	CAS_number	544465-12-5
	MW	437.5
	Paper	Miles_2020_Bioorg.Med.Chem.Lett__127609
	Comment	compound 8 is a rapidly reversible selective BChE inhibitor with mixed inhibition kinetics (IC50 of 2.4 muM) for and possess a high PAMPA-BBB permeability
	Gene_locus	human-BCHE
	CID	1292876
	Family	BCHE
	InChIKey	GAGZEGAZKAPJPQ-UHFFFAOYSA-N
	CanonicalSMILES	COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)CC5=CC=CC=C5
	InChI	InChI=1S/C28H27N3O2/c1-33-23-13-11-22(12-14-23)27-19-25(24-9-5-6-10-26(24)29-27)28(32)31-17-15-30(16-18-31)20-21-7-3-2-4-8-21/h2-14,19H,15-18,20H2,1H3