General Information of the Compound
Compound ID
CP0520048
Compound Name
4-methyl-1-(6-naphthalen-1-yloxyhexyl)piperidine
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Structure
Formula
C22H31NO
Molecular Weight
325.496
Canonical SMILES
CC1CCN(CCCCCCOc2cccc3ccccc23)CC1
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InChI
InChI=1S/C22H31NO/c1-19-13-16-23(17-14-19)15-6-2-3-7-18-24-22-12-8-10-20-9-4-5-11-21(20)22/h4-5,8-12,19H,2-3,6-7,13-18H2,1H3
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InChIKey
UOBNIVPGUOVZCW-UHFFFAOYSA-N
Physicochemical Property
logP
5.5109
Rotatable Bonds
8
Heavy Atom Count
24
Polar Areas
12.47
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
24

"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: 145961579
ChEMBL ID
CHEMBL4129490
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 = 126 nM
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