General Information of the Compound
Compound ID
CP0472269
Compound Name
5-chloro-2-methoxy-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]benzamide
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Structure
Formula
C20H23ClN2O5S
Molecular Weight
438.933
Canonical SMILES
COc1ccc(Cl)cc1C(=O)NCCc1ccc(cc1)S(=O)(=O)N1CCOCC1
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InChI
InChI=1S/C20H23ClN2O5S/c1-27-19-7-4-16(21)14-18(19)20(24)22-9-8-15-2-5-17(6-3-15)29(25,26)23-10-12-28-13-11-23/h2-7,14H,8-13H2,1H3,(H,22,24)
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InChIKey
FTQXVJCXTCVEKL-UHFFFAOYSA-N
Physicochemical Property
logP
2.342
Rotatable Bonds
7
Heavy Atom Count
29
Polar Areas
84.94
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
29

"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: 30125613
ChEMBL ID
CHEMBL4294769
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 = 3440 nM
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