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Inhibitor Report for: ZINC11996936

Name Class
ZINC11996936TypeTrifluoro
Derivative of Donepezil
Chemical_Nomenclature[3-(trifluoromethyl)phenyl]-[(3R)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]methanone
FormulaC23H26F3NO4
MW437.45
PaperRemya_2021_Int.J.Biol.Macromol__
CommentIC50 value for ZINC11996936 49.33 +/- 4.90 nM
Gene_locushuman-ACHE
CID42341773
FamilyACHE
InChIKeyFLRIYLNSNFNHLW-MRXNPFEDSA-N
CanonicalSMILESCOc1ccc(CN2CCC[C@@H](C(=O)c3cccc(C(F)(F)F)c3)C2)c(OC)c1OC
InChIInChI=1S/C23H26F3NO4/c1-29-19-10-9-17(21(30-2)22(19)31-3)14-27-11-5-7-16(13-27)20(28)15-6-4-8-18(12-15)23(24,25)26/h4,6,8-10,12,16H,5,7,11,13-14H2,1-3H3/t16-/m1/s1

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Mail to: Nicolas Lenfant, Thierry Hotelier, Yves Bourne, Pascale Marchot and Arnaud Chatonnet.
Please cite: Lenfant 2013 Nucleic.Acids.Res. or Marchot Chatonnet 2012 Prot.Pept Lett.
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