General Information of the Compound
Compound ID
CP0451085
Compound Name
5-chloro-N-[2-[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]ethyl]-2-methoxybenzamide
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Structure
Formula
C23H22Cl2N2O4S
Molecular Weight
493.412
Canonical SMILES
COc1ccc(Cl)cc1C(=O)NCCc1ccc(cc1)S(=O)(=O)NCc1ccc(Cl)cc1
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InChI
InChI=1S/C23H22Cl2N2O4S/c1-31-22-11-8-19(25)14-21(22)23(28)26-13-12-16-4-9-20(10-5-16)32(29,30)27-15-17-2-6-18(24)7-3-17/h2-11,14,27H,12-13,15H2,1H3,(H,26,28)
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InChIKey
HJWHWYJIRXPDSY-UHFFFAOYSA-N
Physicochemical Property
logP
4.453
Rotatable Bonds
9
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: 145984888
ChEMBL ID
CHEMBL4277518
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 = 1500 nM
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