General Information of the Compound
Compound ID
CP0445367
Compound Name
4-[4-Chloro-5-(6-chloro-pyridin-3-yl)-imidazol-1-yl]-benzenesulfonamide
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Structure
Formula
C14H10Cl2N4O2S
Molecular Weight
369.233
Canonical SMILES
NS(=O)(=O)c1ccc(cc1)-n1cnc(Cl)c1-c1ccc(Cl)nc1
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InChI
InChI=1S/C14H10Cl2N4O2S/c15-12-6-1-9(7-18-12)13-14(16)19-8-20(13)10-2-4-11(5-3-10)23(17,21)22/h1-8H,(H2,17,21,22)
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InChIKey
XOOYTUZPZGWGDX-UHFFFAOYSA-N
Physicochemical Property
logP
2.8885
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
90.87
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 10981473
SID: 16039025
ChEMBL ID
CHEMBL117306
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 > 10000 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 = 42 nM
   TI
   LI
   LO
   TS