General Information of the Compound
Compound ID
CP0496168
Compound Name
(Z)-4-(cyclohexylmethoxy)-2-(4-ethylbenzylidene)benzofuran-3(2H)-one
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Structure
Formula
C24H26O3
Molecular Weight
362.469
Canonical SMILES
CCc1ccc(\C=C2/Oc3cccc(OCC4CCCCC4)c3C2=O)cc1
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InChI
InChI=1S/C24H26O3/c1-2-17-11-13-18(14-12-17)15-22-24(25)23-20(9-6-10-21(23)27-22)26-16-19-7-4-3-5-8-19/h6,9-15,19H,2-5,7-8,16H2,1H3/b22-15-
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InChIKey
IZGFHGFOUXGYAM-JCMHNJIXSA-N
Physicochemical Property
logP
5.8243
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
35.53
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
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: 46906663
ChEMBL ID
CHEMBL1163830
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: PT03737, Interleukin-5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000500 Y16 Mus musculus (Mouse)  1
1
IC50 > 30000 nM
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