General Information of the Compound
Compound ID
CP0560108
Compound Name
(E)-1-(6-hydroxy-7-methoxy-1-benzofuran-5-yl)-3-phenylprop-2-en-1-one
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Structure
Formula
C18H14O4
Molecular Weight
294.306
Canonical SMILES
COc1c(O)c(cc2ccoc12)C(=O)\C=C\c1ccccc1
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InChI
InChI=1S/C18H14O4/c1-21-18-16(20)14(11-13-9-10-22-17(13)18)15(19)8-7-12-5-3-2-4-6-12/h2-11,20H,1H3/b8-7+
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InChIKey
WYESHVSRNPCQPO-BQYQJAHWSA-N
Physicochemical Property
logP
4.0431
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
59.67
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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: 44453927
ChEMBL ID
CHEMBL272101
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
CL000001 Jurkat Homo sapiens (Human)  1
1
EC50 = 1700 nM
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