General Information of the Compound
Compound ID
CP0124596
Compound Name
(2-Piperidin-1-yl-ethyl)-(1,2,3,4-tetrahydro-acridin-9-yl)-amine; Oxalic acid
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Structure
Formula
C20H27N3
Molecular Weight
309.457
Canonical SMILES
C(CN1CCCCC1)Nc1c2CCCCc2nc2ccccc12
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InChI
InChI=1S/C20H27N3/c1-6-13-23(14-7-1)15-12-21-20-16-8-2-4-10-18(16)22-19-11-5-3-9-17(19)20/h2,4,8,10H,1,3,5-7,9,11-15H2,(H,21,22)
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InChIKey
WGEJVJPDALKEOC-UHFFFAOYSA-N
Physicochemical Property
logP
4.0114
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
28.16
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
23

"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: 11130677
SID: 16206986
ChEMBL ID
CHEMBL14657
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 = 19 nM
   TI
   LI
   LO
   TS