General Information of the Compound
Compound ID
CP0496880
Compound Name
1-(6-hydroxy-4-methoxy-7-propoxybenzofuran-5-yl)ethanone
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Structure
Formula
C14H16O5
Molecular Weight
264.277
Canonical SMILES
CCCOc1c(O)c(C(C)=O)c(OC)c2ccoc12
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InChI
InChI=1S/C14H16O5/c1-4-6-18-14-11(16)10(8(2)15)12(17-3)9-5-7-19-13(9)14/h5,7,16H,4,6H2,1-3H3
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InChIKey
GMVZDPHQNSOEOK-UHFFFAOYSA-N
Physicochemical Property
logP
3.1384
Rotatable Bonds
5
Heavy Atom Count
19
Polar Areas
68.9
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
19

"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: 11579816
SID: 16682190
ChEMBL ID
CHEMBL202082
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: PT05966, 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
EC50 = 8000 nM
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