General Information of the Compound
Compound ID
CP0465140
Compound Name
N-[(1S)-1-[3-(4-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
    Show/Hide
Structure
Formula
C18H17N3O3
Molecular Weight
323.352
Canonical SMILES
C[C@H](NC(C)=O)c1nc(no1)-c1ccc(Oc2ccccc2)cc1
    Show/Hide
InChI
InChI=1S/C18H17N3O3/c1-12(19-13(2)22)18-20-17(21-24-18)14-8-10-16(11-9-14)23-15-6-4-3-5-7-15/h3-12H,1-2H3,(H,19,22)/t12-/m0/s1
    Show/Hide
InChIKey
IKFQWYHFKWRMOO-LBPRGKRZSA-N
Physicochemical Property
logP
3.726
Rotatable Bonds
5
Heavy Atom Count
24
Polar Areas
77.25
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
24

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 132578434
ChEMBL ID
CHEMBL3905544
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 = 220 nM
   TI
   LI
   LO
   TS
Protein ID: PT00910, Peroxisome proliferator-activated receptor alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 150 nM
   TI
   LI
   LO
   TS
Protein ID: PT00909, Peroxisome proliferator-activated receptor delta
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 290 nM
   TI
   LI
   LO
   TS