General Information of the Compound
Compound ID
CP0482339
Compound Name
5-chloro-2-methoxy-N-[4-[4-(methylsulfamoyl)phenyl]butyl]benzamide
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Structure
Formula
C19H23ClN2O4S
Molecular Weight
410.923
Canonical SMILES
CNS(=O)(=O)c1ccc(CCCCNC(=O)c2cc(Cl)ccc2OC)cc1
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InChI
InChI=1S/C19H23ClN2O4S/c1-21-27(24,25)16-9-6-14(7-10-16)5-3-4-12-22-19(23)17-13-15(20)8-11-18(17)26-2/h6-11,13,21H,3-5,12H2,1-2H3,(H,22,23)
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InChIKey
UWASWDWPVNUBGD-UHFFFAOYSA-N
Physicochemical Property
logP
3.0094
Rotatable Bonds
9
Heavy Atom Count
27
Polar Areas
84.5
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
27

"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: 145987140
ChEMBL ID
CHEMBL4291357
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 = 1740 nM
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