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Inhibitor Report for: CD-Bzl

CD-Bzl	Type	Alkaloid
		Derivative of Cinchonine
		Quinoline
		Natural_modified
	Other_Name	MCULE-9381258147
		SCHEMBL13949293
		MCULE-6617799642
		1-Benzyl-2-(hydroxy(4-quinolinyl)methyl)-7-vinyl-1,4-ethanopiperidinium
	Chemical_Nomenclature	(1-benzyl-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethanol
	Formula	C26H29BrN2O
	MW	465.4
		385.5
	Paper	Bosak_2018_PLoS.One_13_e0205193
	CID	13095485
		3085408
	Family	BCHE
	InChIKey	RTHFVUKMXCJYPA-UHFFFAOYSA-N
	CanonicalSMILES	C=CC1C[N+]2(CCC1CC2C(C3=CC=NC4=CC=CC=C34)O)CC5=CC=CC=C5
	InChI	InChI=1S/C26H29N2O/c1-2-20-18-28(17-19-8-4-3-5-9-19)15-13-21(20)16-25(28)26(29)23-12-14-27-24-11-7-6-10-22(23)24/h2-12,14,20-21,25-26,29H,1,13,15-18H2/q+1