General Information of the Compound
Compound ID
CP0471811
Compound Name
5-chloro-N-[2-[4-(dibutylsulfamoyl)phenyl]ethyl]-2-methoxybenzamide
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Structure
Formula
C24H33ClN2O4S
Molecular Weight
481.058
Canonical SMILES
CCCCN(CCCC)S(=O)(=O)c1ccc(CCNC(=O)c2cc(Cl)ccc2OC)cc1
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InChI
InChI=1S/C24H33ClN2O4S/c1-4-6-16-27(17-7-5-2)32(29,30)21-11-8-19(9-12-21)14-15-26-24(28)22-18-20(25)10-13-23(22)31-3/h8-13,18H,4-7,14-17H2,1-3H3,(H,26,28)
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InChIKey
NTZKYNDSECAROW-UHFFFAOYSA-N
Physicochemical Property
logP
4.912
Rotatable Bonds
13
Heavy Atom Count
32
Polar Areas
75.71
Hydrogen Bond Donor Count
1
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: 138393069
ChEMBL ID
CHEMBL4277889
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 = 550 nM
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