General Information of the Compound
Compound ID
CP0519225
Compound Name
N-[4-(3-chlorophenoxy)-3-sulfamoylphenyl]-2-(2-methoxyphenyl)acetamide
    Show/Hide
Structure
Formula
C21H19ClN2O5S
Molecular Weight
446.912
Canonical SMILES
COc1ccccc1CC(=O)Nc1ccc(Oc2cccc(Cl)c2)c(c1)S(N)(=O)=O
    Show/Hide
InChI
InChI=1S/C21H19ClN2O5S/c1-28-18-8-3-2-5-14(18)11-21(25)24-16-9-10-19(20(13-16)30(23,26)27)29-17-7-4-6-15(22)12-17/h2-10,12-13H,11H2,1H3,(H,24,25)(H2,23,26,27)
    Show/Hide
InChIKey
UXGAFKAQDXIJSN-UHFFFAOYSA-N
Physicochemical Property
logP
3.9695
Rotatable Bonds
7
Heavy Atom Count
30
Polar Areas
107.72
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
30

"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: 124125537
ChEMBL ID
CHEMBL4452312
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: PT02908, P2X purinoceptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 2 nM
   TI
   LI
   LO
   TS