General Information of the Compound
Compound ID
CP0404792
Compound Name
4-methyl-1-(5-naphthalen-2-yloxypentyl)piperidine
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Structure
Formula
C21H29NO
Molecular Weight
311.469
Canonical SMILES
CC1CCN(CCCCCOc2ccc3ccccc3c2)CC1
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InChI
InChI=1S/C21H29NO/c1-18-11-14-22(15-12-18)13-5-2-6-16-23-21-10-9-19-7-3-4-8-20(19)17-21/h3-4,7-10,17-18H,2,5-6,11-16H2,1H3
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InChIKey
OVYJAKUYPLZTBD-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: 145961804
ChEMBL ID
CHEMBL4129404
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 = 95 nM
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