General Information of the Compound
Compound ID
CP0470365
Compound Name
4-(4-Phenoxybutoxy)benzofuran
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Structure
Formula
C18H18O3
Molecular Weight
282.339
Canonical SMILES
C(CCOc1cccc2occc12)COc1ccccc1
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InChI
InChI=1S/C18H18O3/c1-2-7-15(8-3-1)19-12-4-5-13-20-17-9-6-10-18-16(17)11-14-21-18/h1-3,6-11,14H,4-5,12-13H2
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InChIKey
BVNFAUAGGNZVBN-UHFFFAOYSA-N
Physicochemical Property
logP
4.6708
Rotatable Bonds
7
Heavy Atom Count
21
Polar Areas
31.6
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
21

"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: 42631366
SID: 81070373
ChEMBL ID
CHEMBL559956
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 = 650 nM
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