General Information of the Compound
Compound ID
CP0490309
Compound Name
(E)-1-(4,7-dimethoxy-1-benzofuran-5-yl)-3-phenylprop-2-en-1-one
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Structure
Formula
C19H16O4
Molecular Weight
308.333
Canonical SMILES
COc1cc(C(=O)\C=C\c2ccccc2)c(OC)c2ccoc12
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InChI
InChI=1S/C19H16O4/c1-21-17-12-15(18(22-2)14-10-11-23-19(14)17)16(20)9-8-13-6-4-3-5-7-13/h3-12H,1-2H3/b9-8+
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InChIKey
VSLAMGMSLPXUIL-CMDGGOBGSA-N
Physicochemical Property
logP
4.3461
Rotatable Bonds
5
Heavy Atom Count
23
Polar Areas
48.67
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
23

"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: 44453949
ChEMBL ID
CHEMBL403523
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 = 2400 nM
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