General Information of the Compound
Compound ID
CP0467994
Compound Name
4-[4-Chloro-5-(3,5-dichloro-phenyl)-imidazol-1-yl]-benzenesulfonamide
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Structure
Formula
C15H10Cl3N3O2S
Molecular Weight
402.69
Canonical SMILES
NS(=O)(=O)c1ccc(cc1)-n1cnc(Cl)c1-c1cc(Cl)cc(Cl)c1
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InChI
InChI=1S/C15H10Cl3N3O2S/c16-10-5-9(6-11(17)7-10)14-15(18)20-8-21(14)12-1-3-13(4-2-12)24(19,22)23/h1-8H,(H2,19,22,23)
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InChIKey
NTJUKOBMYGBALR-UHFFFAOYSA-N
Physicochemical Property
logP
4.1469
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
77.98
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: 44343803
ChEMBL ID
CHEMBL419407
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: PT00940, Prostaglandin G/H synthase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000100 U-937 Homo sapiens (Human)  1
1
IC50 = 600 nM
   TI
   LI
   LO
   TS
Protein ID: PT00901, Prostaglandin G/H synthase 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000763 143.98.2 Homo sapiens (Human)  1
1
IC50 = 2 nM
   TI
   LI
   LO
   TS