General Information of the Compound
Compound ID
CP0578348
Compound Name
N-(9-piperidin-1-yl-5,6,7,8-tetrahydroacridin-2-yl)acetamide
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Structure
Formula
C20H25N3O
Molecular Weight
323.44
Canonical SMILES
CC(=O)Nc1ccc2nc3CCCCc3c(N3CCCCC3)c2c1
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InChI
InChI=1S/C20H25N3O/c1-14(24)21-15-9-10-19-17(13-15)20(23-11-5-2-6-12-23)16-7-3-4-8-18(16)22-19/h9-10,13H,2-8,11-12H2,1H3,(H,21,24)
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InChIKey
YHAGFQQXUBFFNL-UHFFFAOYSA-N
Physicochemical Property
logP
4.0623
Rotatable Bonds
2
Heavy Atom Count
24
Polar Areas
45.23
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
24

"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: 168278862
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 = 301 nM
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