General Information of the Compound
Compound ID
CP0471106
Compound Name
2-(2-chlorophenyl)-N-[4-(pyridin-2-ylmethoxy)-3-sulfamoylphenyl]acetamide
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Structure
Formula
C20H18ClN3O4S
Molecular Weight
431.901
Canonical SMILES
NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1OCc1ccccn1
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InChI
InChI=1S/C20H18ClN3O4S/c21-17-7-2-1-5-14(17)11-20(25)24-15-8-9-18(19(12-15)29(22,26)27)28-13-16-6-3-4-10-23-16/h1-10,12H,11,13H2,(H,24,25)(H2,22,26,27)
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InChIKey
URKWSKFMZDDJLC-UHFFFAOYSA-N
Physicochemical Property
logP
3.1426
Rotatable Bonds
7
Heavy Atom Count
29
Polar Areas
111.38
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
29

"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: 124125453
ChEMBL ID
CHEMBL4439570
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 = 26 nM
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