General Information of the Compound
Compound ID
CP0124743
Compound Name
4-[4-(4-chlorophenyl)-2,5-dioxopyrrol-3-yl]benzenesulfonamide
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Structure
Formula
C16H11ClN2O4S
Molecular Weight
362.794
Canonical SMILES
NS(=O)(=O)c1ccc(cc1)C1=C(C(=O)NC1=O)c1ccc(Cl)cc1
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InChI
InChI=1S/C16H11ClN2O4S/c17-11-5-1-9(2-6-11)13-14(16(21)19-15(13)20)10-3-7-12(8-4-10)24(18,22)23/h1-8H,(H2,18,22,23)(H,19,20,21)
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InChIKey
JRSDDATYOWGQMB-UHFFFAOYSA-N
Physicochemical Property
logP
1.5546
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
106.33
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
24

"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: 90654518
ChEMBL ID
CHEMBL3233598
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 = 4700 nM
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