General Information of the Compound
Compound ID
CP0504482
Compound Name
N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]thiophene-3-carboxamide
    Show/Hide
Structure
Formula
C17H13ClN2O3S2
Molecular Weight
392.889
Canonical SMILES
Clc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccsc2)cc1
    Show/Hide
InChI
InChI=1S/C17H13ClN2O3S2/c18-15-3-1-2-4-16(15)20-25(22,23)14-7-5-13(6-8-14)19-17(21)12-9-10-24-11-12/h1-11,20H,(H,19,21)
    Show/Hide
InChIKey
ZASNKCQMORAXHL-UHFFFAOYSA-N
Physicochemical Property
logP
4.4546
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
75.27
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
25

"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: 49865398
ChEMBL ID
CHEMBL1223313
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: PT02199, Metabotropic glutamate receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 269 nM
   TI
   LI
   LO
   TS