General Information of the Compound
Compound ID
CP0234142
Compound Name
4-[2-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentoxy]ethyl]phenol
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Structure
Formula
C26H32N2O2
Molecular Weight
404.554
Canonical SMILES
Oc1ccc(CCOCCCCCNc2c3CCCCc3nc3ccccc23)cc1
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InChI
InChI=1S/C26H32N2O2/c29-21-14-12-20(13-15-21)16-19-30-18-7-1-6-17-27-26-22-8-2-4-10-24(22)28-25-11-5-3-9-23(25)26/h2,4,8,10,12-15,29H,1,3,5-7,9,11,16-19H2,(H,27,28)
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InChIKey
AZMKNSQZSVBTKB-UHFFFAOYSA-N
Physicochemical Property
logP
5.6607
Rotatable Bonds
10
Heavy Atom Count
30
Polar Areas
54.38
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
30

"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: 155546180
ChEMBL ID
CHEMBL4531167
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 = 142 nM
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