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Inhibitor Report for: C7653

General
Type Piperidine, Derivative of Donepezil
Chemical_Nomenclature 2-(2,4-dichlorophenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide
Canonical SMILES C1CCN(CC1)CC2=CC=C(C=C2)NC(=O)COC3=C(C=C(C=C3)Cl)Cl
InChI InChI=1S/C20H22Cl2N2O2/c21-16-6-9-19(18(22)12-16)26-14-20(25)23-17-7-4-15(5-8-17)13-24-10-2-1-3-11-24/h4-9,12H,1-3,10-11,13-14H2,(H,23,25)
InChIKey KHNVQJDWUHRVDK-UHFFFAOYSA-N
Other name(s) MLS000663765 ; SMR000293060 ; 2-(2,4-dichlorophenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide ; 2-(2,4-dichlorophenoxy)-N-[4-(1-piperidinylmethyl)phenyl]acetamide ; AC1LRFB6 ; Ambcb7653174
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MW|393.30
Formula|C20H22Cl2N2O2
CAS_number|
PubChem|1395053
UniChem|KHNVQJDWUHRVDK-UHFFFAOYSA-N
IUPHAR|
Wikipedia|

Target
Families | C7653 ligand of proteins in family: ACHE
Stucture | 1 structure: 5FOQ: Acetylcholinesterase in complex with C7653
Protein | mouse-ACHE

References:
Search PubMed for references concerning: C7653
    Title: The Nature of Activated Non-classical Hydrogen Bonds: A Case Study on Acetylcholinesterase-Ligand Complexes
    Berg L, Mishra BK, Andersson CD, Ekstrom F, Linusson A
    Ref: Chemistry, 22:2672, 2016 : PubMed

            

    Title: Targeting acetylcholinesterase: identification of chemical leads by high throughput screening, structure determination and molecular modeling
    Berg L, Andersson CD, Artursson E, Hornberg A, Tunemalm AK, Linusson A, Ekstrom F
    Ref: PLoS ONE, 6:e26039, 2011 : PubMed