General Information of the Compound
Compound ID
CP0411667
Compound Name
5-chloro-2-methoxy-N-[2-[4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]ethyl]benzamide
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Structure
Formula
C24H25ClN2O5S
Molecular Weight
488.993
Canonical SMILES
COc1ccc(CNS(=O)(=O)c2ccc(CCNC(=O)c3cc(Cl)ccc3OC)cc2)cc1
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InChI
InChI=1S/C24H25ClN2O5S/c1-31-20-8-3-18(4-9-20)16-27-33(29,30)21-10-5-17(6-11-21)13-14-26-24(28)22-15-19(25)7-12-23(22)32-2/h3-12,15,27H,13-14,16H2,1-2H3,(H,26,28)
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InChIKey
ZVJMBZPPJPIYMZ-UHFFFAOYSA-N
Physicochemical Property
logP
3.8082
Rotatable Bonds
10
Heavy Atom Count
33
Polar Areas
93.73
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
33

"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: 138393070
ChEMBL ID
CHEMBL4278966
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 = 420 nM
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