General Information of the Compound
Compound ID
CP0071708
Compound Name
N-cyclohexyl-6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalene-2-carboxamide
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Structure
Formula
C25H34N2O2
Molecular Weight
394.559
Canonical SMILES
CC(C)N1CCC(CC1)Oc1ccc2cc(ccc2c1)C(=O)NC1CCCCC1
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InChI
InChI=1S/C25H34N2O2/c1-18(2)27-14-12-23(13-15-27)29-24-11-10-19-16-21(9-8-20(19)17-24)25(28)26-22-6-4-3-5-7-22/h8-11,16-18,22-23H,3-7,12-15H2,1-2H3,(H,26,28)
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InChIKey
CUPKCDUMNJWBHZ-UHFFFAOYSA-N
Physicochemical Property
logP
5.1539
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
41.57
Hydrogen Bond Donor Count
1
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).

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PubChem ID
CID: 44578637
ChEMBL ID
CHEMBL477181
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)  2
1
EC50 = 21 nM
   TI
   LI
   LO
   TS
2
Ki = 87 nM
   TI
   LI
   LO
   TS