General Information of the Compound
Compound ID
CP0267668
Compound Name
(6-Piperidin-1-yl-hexyl)-(1,2,3,4-tetrahydro-acridin-9-yl)-amine; Oxalic acid
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Structure
Formula
C24H35N3
Molecular Weight
365.565
Canonical SMILES
C(CCCN1CCCCC1)CCNc1c2CCCCc2nc2ccccc12
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InChI
InChI=1S/C24H35N3/c1(2-9-17-27-18-10-3-11-19-27)8-16-25-24-20-12-4-6-14-22(20)26-23-15-7-5-13-21(23)24/h4,6,12,14H,1-3,5,7-11,13,15-19H2,(H,25,26)
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InChIKey
QZXLFYRPFVFZIY-UHFFFAOYSA-N
Physicochemical Property
logP
5.5718
Rotatable Bonds
8
Heavy Atom Count
27
Polar Areas
28.16
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
27

"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: 11122095
SID: 16197175
ChEMBL ID
CHEMBL277061
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 = 1.8 nM
   TI
   LI
   LO
   TS