General Information of the Compound
Compound ID
CP0550484
Compound Name
7-methyl-9-piperidin-1-yl-1,2,3,4-tetrahydroacridine
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Structure
Formula
C19H24N2
Molecular Weight
280.415
Canonical SMILES
Cc1ccc2nc3CCCCc3c(N3CCCCC3)c2c1
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InChI
InChI=1S/C19H24N2/c1-14-9-10-18-16(13-14)19(21-11-5-2-6-12-21)15-7-3-4-8-17(15)20-18/h9-10,13H,2-8,11-12H2,1H3
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InChIKey
HRVJOYKYWBNCNN-UHFFFAOYSA-N
Physicochemical Property
logP
4.41232
Rotatable Bonds
1
Heavy Atom Count
21
Polar Areas
16.13
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
21

"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: 168284429
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 = 118 nM
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