General Information of the Compound
Compound ID
CP0549442
Compound Name
1-(4-Phenoxybutoxy)naphthalene
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Structure
Formula
C20H20O2
Molecular Weight
292.378
Canonical SMILES
C(CCOc1cccc2ccccc12)COc1ccccc1
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InChI
InChI=1S/C20H20O2/c1-2-11-18(12-3-1)21-15-6-7-16-22-20-14-8-10-17-9-4-5-13-19(17)20/h1-5,8-14H,6-7,15-16H2
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InChIKey
BNQMOAFESUFQJH-UHFFFAOYSA-N
Physicochemical Property
logP
5.0778
Rotatable Bonds
7
Heavy Atom Count
22
Polar Areas
18.46
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
22

"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: 42631042
SID: 81070017
ChEMBL ID
CHEMBL539158
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: PT02298, Potassium voltage-gated channel subfamily A member 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000309 NCTC clone 929 Mus musculus (Mouse)  1
1
IC50 = 15000 nM
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