General Information of the Compound
Compound ID
CP0366094
Compound Name
4-(1-methyl-2,5-dioxo-4-phenylpyrrol-3-yl)benzenesulfonamide
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Structure
Formula
C17H14N2O4S
Molecular Weight
342.376
Canonical SMILES
CN1C(=O)C(=C(C1=O)c1ccc(cc1)S(N)(=O)=O)c1ccccc1
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InChI
InChI=1S/C17H14N2O4S/c1-19-16(20)14(11-5-3-2-4-6-11)15(17(19)21)12-7-9-13(10-8-12)24(18,22)23/h2-10H,1H3,(H2,18,22,23)
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InChIKey
JZPVHSMJZGYEJL-UHFFFAOYSA-N
Physicochemical Property
logP
1.2434
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
97.54
Hydrogen Bond Donor Count
1
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: 90654519
ChEMBL ID
CHEMBL3233599
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 = 11 nM
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