General Information of the Compound
Compound ID
CP0201354
Compound Name
N-methyl-N-(3-piperidin-1-ylpropyl)-1,2,3,4-tetrahydroacridin-9-amine
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Structure
Formula
C22H31N3
Molecular Weight
337.511
Canonical SMILES
CN(CCCN1CCCCC1)c1c2CCCCc2nc2ccccc12
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InChI
InChI=1S/C22H31N3/c1-24(14-9-17-25-15-7-2-8-16-25)22-18-10-3-5-12-20(18)23-21-13-6-4-11-19(21)22/h3,5,10,12H,2,4,6-9,11,13-17H2,1H3
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InChIKey
OPIYSQMEONMIPR-UHFFFAOYSA-N
Physicochemical Property
logP
4.4258
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
19.37
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
25

"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: 10969785
SID: 16025970
ChEMBL ID
CHEMBL14656
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 = 50 nM
   TI
   LI
   LO
   TS