General Information of the Compound
Compound ID
CP0371778
Compound Name
(E)-1-(6-Hydroxy-4,7-dimethoxy-benzofuran-5-yl)-3-(3-methoxy-phenyl)-propenone
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Structure
Formula
C20H18O6
Molecular Weight
354.358
Canonical SMILES
COc1cccc(\C=C\C(=O)c2c(O)c(OC)c3occc3c2OC)c1
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InChI
InChI=1S/C20H18O6/c1-23-13-6-4-5-12(11-13)7-8-15(21)16-17(22)20(25-3)19-14(9-10-26-19)18(16)24-2/h4-11,22H,1-3H3/b8-7+
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InChIKey
NZQFVFZKSNUANG-BQYQJAHWSA-N
Physicochemical Property
logP
4.0603
Rotatable Bonds
6
Heavy Atom Count
26
Polar Areas
78.13
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
26

"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: 10089473
SID: 15076507
ChEMBL ID
CHEMBL76543
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 = 900 nM
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