General Information of the Compound
Compound ID
CP0564567
Compound Name
2-[(7-methyl-1,2,3,4-tetrahydroacridin-9-yl)amino]ethanol
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Structure
Formula
C16H20N2O
Molecular Weight
256.349
Canonical SMILES
Cc1ccc2nc3CCCCc3c(NCCO)c2c1
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InChI
InChI=1S/C16H20N2O/c1-11-6-7-15-13(10-11)16(17-8-9-19)12-4-2-3-5-14(12)18-15/h6-7,10,19H,2-5,8-9H2,1H3,(H,17,18)
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InChIKey
QAKQWGSCAYEALR-UHFFFAOYSA-N
Physicochemical Property
logP
2.82622
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
45.15
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
19

"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: 168281564
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 = 180 nM
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