General Information of the Compound
Compound ID
CP0463518
Compound Name
N-[4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-hydroxyacetamide
    Show/Hide
Structure
Formula
C16H13ClN2O3
Molecular Weight
316.744
Canonical SMILES
Cc1ccc2oc(nc2c1)-c1cc(NC(=O)CO)ccc1Cl
    Show/Hide
InChI
InChI=1S/C16H13ClN2O3/c1-9-2-5-14-13(6-9)19-16(22-14)11-7-10(3-4-12(11)17)18-15(21)8-20/h2-7,20H,8H2,1H3,(H,18,21)
    Show/Hide
InChIKey
DXAQGPGJDCHQDN-UHFFFAOYSA-N
Physicochemical Property
logP
3.38742
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
75.36
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
22

"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: 44282959
ChEMBL ID
CHEMBL34077
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: PT06121, 1-acyl-sn-glycerol-3-phosphate acyltransferase beta
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 31000 nM
   TI
   LI
   LO
   TS