General Information of the Compound
Compound ID
CP0478170
Compound Name
4-methyl-1-(5-naphthalen-1-yloxypentyl)piperidine
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Structure
Formula
C21H29NO
Molecular Weight
311.469
Canonical SMILES
CC1CCN(CCCCCOc2cccc3ccccc23)CC1
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InChI
InChI=1S/C21H29NO/c1-18-12-15-22(16-13-18)14-5-2-6-17-23-21-11-7-9-19-8-3-4-10-20(19)21/h3-4,7-11,18H,2,5-6,12-17H2,1H3
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InChIKey
JMUCLDDBWGLNPU-UHFFFAOYSA-N
Physicochemical Property
logP
5.1208
Rotatable Bonds
7
Heavy Atom Count
23
Polar Areas
12.47
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
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: 145960431
ChEMBL ID
CHEMBL4127523
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
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 43.3 nM
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