General Information of the Compound
Compound ID
CP0173173
Compound Name
4-[4-(4-methoxyphenyl)-2,5-dioxopyrrol-3-yl]benzenesulfonamide
    Show/Hide
Structure
Formula
C17H14N2O5S
Molecular Weight
358.375
Canonical SMILES
COc1ccc(cc1)C1=C(C(=O)NC1=O)c1ccc(cc1)S(N)(=O)=O
    Show/Hide
InChI
InChI=1S/C17H14N2O5S/c1-24-12-6-2-10(3-7-12)14-15(17(21)19-16(14)20)11-4-8-13(9-5-11)25(18,22)23/h2-9H,1H3,(H2,18,22,23)(H,19,20,21)
    Show/Hide
InChIKey
FVSBJBDWRXNZCI-UHFFFAOYSA-N
Physicochemical Property
logP
0.9098
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
115.56
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
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: 90654517
ChEMBL ID
CHEMBL3233597
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: PT01062, Prostaglandin G/H synthase 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000014 RAW 264.7 Mus musculus (Mouse)  1
1
IC50 = 450 nM
   TI
   LI
   LO
   TS