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Inhibitor Report for: Coumarin-Pyridine-3f

Coumarin-Pyridine-3f	Type	Coumarin
		Pyridine
	Chemical_Nomenclature	1-(3-(4-(6-Nitro-2-oxo-2H-chromen-3-yl)phenoxy) propyl)pyridinium Bromide
	Formula	C23H19BrN2O5
	MW	483.31
	Paper	Babaei_2022_Front.Chem_10_895483
	Comment	AChE inhibitor (IC50 = 2 nM) BuChE inhibitor activity (IC50 = 24 nM)
	Gene_locus	human-ACHE
		human-BCHE
	Family	ACHE
		BCHE
	InChIKey	FGLFWZQQABVJGL-UHFFFAOYSA-M
	CanonicalSMILES	C1(=CC=C2C(=C1)C=C(C(O2)=O)C3=CC=C(C=C3)OCCC[N+]4=CC=CC=C4)[N+](=O)[O-].[Br-]
	InChI	InChI=1S/C23H19N2O5.BrH/c26-23-21(16-18-15-19(25(27)28)7-10-22(18)30-23)17-5-8-20(9-6-17)29-14-4-13-24-11-2-1-3-12-24;/h1-3,5-12,15-16H,4,13-14H2;1H/q+1;/p-1