General Information of the Compound
Compound ID
CP0564442
Compound Name
N-[4-(2-chlorophenoxy)-3-sulfamoylphenyl]-2-phenylacetamide
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Structure
Formula
C20H17ClN2O4S
Molecular Weight
416.886
Canonical SMILES
NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2)ccc1Oc1ccccc1Cl
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InChI
InChI=1S/C20H17ClN2O4S/c21-16-8-4-5-9-17(16)27-18-11-10-15(13-19(18)28(22,25)26)23-20(24)12-14-6-2-1-3-7-14/h1-11,13H,12H2,(H,23,24)(H2,22,25,26)
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InChIKey
ZSHPWDDCPZJPMP-UHFFFAOYSA-N
Physicochemical Property
logP
3.9609
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
98.49
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 124125387
ChEMBL ID
CHEMBL4470126
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 = 1250 nM
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