General Information of the Compound
Compound ID
CP0441602
Compound Name
1-[7-(Biphenyl-2-ylmethoxy)-6-hydroxy-4-methoxy-benzofuran-5-yl]-ethanone
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Structure
Formula
C24H20O5
Molecular Weight
388.419
Canonical SMILES
COc1c(C(C)=O)c(O)c(OCc2ccccc2-c2ccccc2)c2occc12
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InChI
InChI=1S/C24H20O5/c1-15(25)20-21(26)24(23-19(12-13-28-23)22(20)27-2)29-14-17-10-6-7-11-18(17)16-8-4-3-5-9-16/h3-13,26H,14H2,1-2H3
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InChIKey
OGJJWQFARALDQT-UHFFFAOYSA-N
Physicochemical Property
logP
5.5956
Rotatable Bonds
6
Heavy Atom Count
29
Polar Areas
68.9
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
29

"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: 11538312
SID: 16640417
ChEMBL ID
CHEMBL380826
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 = 1100 nM
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