General Information of the Compound
Compound ID
CP0060164
Compound Name
1H-3-(4-sulfamoylphenyl)-4-phenyl-pyrrole-2,5-dione
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Structure
Formula
C16H12N2O4S
Molecular Weight
328.349
Canonical SMILES
NS(=O)(=O)c1ccc(cc1)C1=C(C(=O)NC1=O)c1ccccc1
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InChI
InChI=1S/C16H12N2O4S/c17-23(21,22)12-8-6-11(7-9-12)14-13(15(19)18-16(14)20)10-4-2-1-3-5-10/h1-9H,(H2,17,21,22)(H,18,19,20)
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InChIKey
LCBYKMOZFZMSHI-UHFFFAOYSA-N
Physicochemical Property
logP
0.9012
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
106.33
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
23

"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).

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PubChem ID
CID: 25058950
SID: 56395805
ChEMBL ID
CHEMBL595838
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 = 610 nM
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