General Information of the Compound
Compound ID
CP0565338
Compound Name
5-chloro-2-methoxy-N-[2-[4-(2-phenylethylsulfamoyl)phenyl]ethyl]benzamide
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Structure
Formula
C24H25ClN2O4S
Molecular Weight
472.994
Canonical SMILES
COc1ccc(Cl)cc1C(=O)NCCc1ccc(cc1)S(=O)(=O)NCCc1ccccc1
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InChI
InChI=1S/C24H25ClN2O4S/c1-31-23-12-9-20(25)17-22(23)24(28)26-15-13-19-7-10-21(11-8-19)32(29,30)27-16-14-18-5-3-2-4-6-18/h2-12,17,27H,13-16H2,1H3,(H,26,28)
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InChIKey
HWQDXMARUNIKFL-UHFFFAOYSA-N
Physicochemical Property
logP
3.8421
Rotatable Bonds
10
Heavy Atom Count
32
Polar Areas
84.5
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
32

"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: 13813280
ChEMBL ID
CHEMBL4293687
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: PT03356, NACHT, LRR and PYD domains-containing protein 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000188 J774A1 Mus musculus (Mouse)  1
1
IC50 = 810 nM
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