General Information of the Compound
Compound ID
CP0399388
Compound Name
(E)-1-(6-hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)-3-(3-methoxyphenyl)-2-methylprop-2-en-1-one
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Structure
Formula
C21H20O6
Molecular Weight
368.385
Canonical SMILES
COc1cccc(\C=C(/C)C(=O)c2c(O)c(OC)c3occc3c2OC)c1
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InChI
InChI=1S/C21H20O6/c1-12(10-13-6-5-7-14(11-13)24-2)17(22)16-18(23)21(26-4)20-15(8-9-27-20)19(16)25-3/h5-11,23H,1-4H3/b12-10+
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InChIKey
GWJAVGKJRGYHHL-ZRDIBKRKSA-N
Physicochemical Property
logP
4.4504
Rotatable Bonds
6
Heavy Atom Count
27
Polar Areas
78.13
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
27

"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: 44453951
ChEMBL ID
CHEMBL257244
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 = 3000 nM
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