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Inhibitor Report for: 6ZWE-Cpd3

6ZWE-Cpd3	Type	Multitarget
		Antioxidant
		Benzodioxo
		Alkyl linked bis-ligand
	Other_Name	QRH
	Chemical_Nomenclature (2)
	Formula	C36H41BrNO3P
		C36H38NO3P
	MW	646.59
		563.67
	Paper	Chavarria_2021_Antioxidants.(Basel)_10_329
	Structure	6ZWE
		6ZWI
	Comment	IC50 microM 5.74+/-0.32 eelACHE 0.0179+/-0.0009 eqBCHE 2.0+/-0.2 humanAChE3.0+/-0.4 humanBCHE
	Gene_locus	human-BCHE
		human-ACHE
	Family	BCHE
		ACHE
	InChIKey (2)
	CanonicalSMILES	C15=C(C=CC(=C1)CCCCC(=O)NCCCCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)OCO5.[Br-]
		c1ccc(cc1)P(CCCCCCNC(=O)/C=C/C=C/c2ccc3c(c2)OCO3)(c4ccccc4)c5ccccc5
	InChI	InChI=1S/C36H40NO3P.BrH/c38-36(23-13-12-16-30-24-25-34-35(28-30)40-29-39-34)37-26-14-1-2-15-27-41(31-17-6-3-7-18-31,32-19-8-4-9-20-32)33-21-10-5-11-22-33;/h3-11,17-22,24-25,28H,1-2,12-16,23,26-27,29H2;1H
		InChI=1S/C36H38NO3P/c38-36(23-13-12-16-30-24-25-34-35(28-30)40-29-39-34)37-26-14-1-2-15-27-41(31-17-6-3-7-18-31,32-19-8-4-9-20-32)33-21-10-5-11-22-33/h3-13,16-25,28,41H,1-2,14-15,26-27,29H2,(H,37,38)/b16-12+,23-13+