General Information of the Compound
Compound ID
CP0159950
Compound Name
N-[5-[2-(4-methoxyphenyl)ethoxy]pentyl]-1,2,3,4-tetrahydroacridin-9-amine
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Structure
Formula
C27H34N2O2
Molecular Weight
418.581
Canonical SMILES
COc1ccc(CCOCCCCCNc2c3CCCCc3nc3ccccc23)cc1
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InChI
InChI=1S/C27H34N2O2/c1-30-22-15-13-21(14-16-22)17-20-31-19-8-2-7-18-28-27-23-9-3-5-11-25(23)29-26-12-6-4-10-24(26)27/h3,5,9,11,13-16H,2,4,6-8,10,12,17-20H2,1H3,(H,28,29)
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InChIKey
WZYKETQNVWSQLW-UHFFFAOYSA-N
Physicochemical Property
logP
5.9637
Rotatable Bonds
11
Heavy Atom Count
31
Polar Areas
43.38
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
31

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 155537540
ChEMBL ID
CHEMBL4475228
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00820, Acetylcholinesterase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 216 nM
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