General Information of the Compound
Compound ID
CP0123588
Compound Name
N-methyl-N-(2-piperidin-1-ylethyl)-1,2,3,4-tetrahydroacridin-9-amine
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Structure
Formula
C21H29N3
Molecular Weight
323.484
Canonical SMILES
CN(CCN1CCCCC1)c1c2CCCCc2nc2ccccc12
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InChI
InChI=1S/C21H29N3/c1-23(15-16-24-13-7-2-8-14-24)21-17-9-3-5-11-19(17)22-20-12-6-4-10-18(20)21/h3,5,9,11H,2,4,6-8,10,12-16H2,1H3
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InChIKey
DAADVSWNWOBDON-UHFFFAOYSA-N
Physicochemical Property
logP
4.0357
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
19.37
Hydrogen Bond Donor Count
0
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: 11045549
SID: 16111070
ChEMBL ID
CHEMBL14781
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: PT01194, Histamine H3 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 78 nM
   TI
   LI
   LO
   TS