General Information of the Compound
Compound ID
CP0166560
Compound Name
(6-(1-isopropylpiperidin-4-yloxy)naphthalen-2-yl)(4-methylpiperidin-1-yl)methanone
    Show/Hide
Structure
Formula
C25H34N2O2
Molecular Weight
394.559
Canonical SMILES
CC(C)N1CCC(CC1)Oc1ccc2cc(ccc2c1)C(=O)N1CCC(C)CC1
    Show/Hide
InChI
InChI=1S/C25H34N2O2/c1-18(2)26-14-10-23(11-15-26)29-24-7-6-20-16-22(5-4-21(20)17-24)25(28)27-12-8-19(3)9-13-27/h4-7,16-19,23H,8-15H2,1-3H3
    Show/Hide
InChIKey
YHGNRINQDQUNFR-UHFFFAOYSA-N
Physicochemical Property
logP
4.9635
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
32.78
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
29

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 11703903
SID: 16808580
ChEMBL ID
CHEMBL563711
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 = 34 nM
   TI
   LI
   LO
   TS