General Information of the Compound
Compound ID
CP0237645
Compound Name
N'-(4-bromophenyl)-N-(furan-2-ylmethyl)oxamide
    Show/Hide
Structure
Formula
C13H11BrN2O3
Molecular Weight
323.146
Canonical SMILES
Brc1ccc(NC(=O)C(=O)NCc2ccco2)cc1
    Show/Hide
InChI
InChI=1S/C13H11BrN2O3/c14-9-3-5-10(6-4-9)16-13(18)12(17)15-8-11-2-1-7-19-11/h1-7H,8H2,(H,15,17)(H,16,18)
    Show/Hide
InChIKey
HDIYGMDYGDWOHP-UHFFFAOYSA-N
Physicochemical Property
logP
2.297
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
71.34
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
19

"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: 2059502
ChEMBL ID
CHEMBL1645327
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: PT02841, Envelope glycoprotein gp160
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000442 Cf2Th-CCR5 Canis lupus familiaris (Dog)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS