General Information of the Compound
Compound ID
CP0471812
Compound Name
N-[2-[4-(benzylsulfamoyl)phenyl]ethyl]-5-chloro-2-methoxybenzamide
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Structure
Formula
C23H23ClN2O4S
Molecular Weight
458.967
Canonical SMILES
COc1ccc(Cl)cc1C(=O)NCCc1ccc(cc1)S(=O)(=O)NCc1ccccc1
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InChI
InChI=1S/C23H23ClN2O4S/c1-30-22-12-9-19(24)15-21(22)23(27)25-14-13-17-7-10-20(11-8-17)31(28,29)26-16-18-5-3-2-4-6-18/h2-12,15,26H,13-14,16H2,1H3,(H,25,27)
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InChIKey
ZPILMEHUVPNMAV-UHFFFAOYSA-N
Physicochemical Property
logP
3.7996
Rotatable Bonds
9
Heavy Atom Count
31
Polar Areas
84.5
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
31

"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: 145991095
ChEMBL ID
CHEMBL4286218
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 = 1310 nM
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