General Information of the Compound
Compound ID
CP0398308
Compound Name
N-[1-[3-[4-(4-phenoxyphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]acetamide
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Structure
Formula
C24H21N3O4
Molecular Weight
415.449
Canonical SMILES
CC(NC(C)=O)c1nc(no1)-c1ccc(Oc2ccc(Oc3ccccc3)cc2)cc1
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InChI
InChI=1S/C24H21N3O4/c1-16(25-17(2)28)24-26-23(27-31-24)18-8-10-20(11-9-18)30-22-14-12-21(13-15-22)29-19-6-4-3-5-7-19/h3-16H,1-2H3,(H,25,28)
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InChIKey
KWSDTWPYMWIEPR-UHFFFAOYSA-N
Physicochemical Property
logP
5.5183
Rotatable Bonds
7
Heavy Atom Count
31
Polar Areas
86.48
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
31

"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: 134132369
ChEMBL ID
CHEMBL3911590
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: PT01119, Acetyl-CoA carboxylase 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 48 nM
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