General Information of the Compound
Compound ID
CP0426486
Compound Name
2-(2-chlorophenyl)-N-(4-pyridin-3-yloxy-3-sulfamoylphenyl)acetamide
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Structure
Formula
C19H16ClN3O4S
Molecular Weight
417.874
Canonical SMILES
NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1Oc1cccnc1
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InChI
InChI=1S/C19H16ClN3O4S/c20-16-6-2-1-4-13(16)10-19(24)23-14-7-8-17(18(11-14)28(21,25)26)27-15-5-3-9-22-12-15/h1-9,11-12H,10H2,(H,23,24)(H2,21,25,26)
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InChIKey
OUYJPIWRBAXOTH-UHFFFAOYSA-N
Physicochemical Property
logP
3.3559
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
111.38
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
28

"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: 124125494
ChEMBL ID
CHEMBL4541425
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: PT02908, P2X purinoceptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 193 nM
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