General Information of the Compound
Compound ID
CP0480910
Compound Name
1-(6-naphthalen-1-yloxyhexyl)piperidine
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Structure
Formula
C21H29NO
Molecular Weight
311.469
Canonical SMILES
C(CCCN1CCCCC1)CCOc1cccc2ccccc12
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InChI
InChI=1S/C21H29NO/c1(6-15-22-16-7-3-8-17-22)2-9-18-23-21-14-10-12-19-11-4-5-13-20(19)21/h4-5,10-14H,1-3,6-9,15-18H2
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InChIKey
NDZGDXXDGSPWCA-UHFFFAOYSA-N
Physicochemical Property
logP
5.2649
Rotatable Bonds
8
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: 2238059
ChEMBL ID
CHEMBL4126193
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 = 52.9 nM
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