General Information of the Compound
Compound ID
CP0544230
Compound Name
2-(4-methoxyphenyl)-N-(3-sulfamoylphenyl)acetamide
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Structure
Formula
C15H16N2O4S
Molecular Weight
320.37
Canonical SMILES
COc1ccc(CC(=O)Nc2cccc(c2)S(N)(=O)=O)cc1
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InChI
InChI=1S/C15H16N2O4S/c1-21-13-7-5-11(6-8-13)9-15(18)17-12-3-2-4-14(10-12)22(16,19)20/h2-8,10H,9H2,1H3,(H,17,18)(H2,16,19,20)
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InChIKey
BQBOTFGKPRWYIN-UHFFFAOYSA-N
Physicochemical Property
logP
1.5238
Rotatable Bonds
5
Heavy Atom Count
22
Polar Areas
98.49
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
22

"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: 5082802
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: PT03614, NACHT, LRR and PYD domains-containing protein 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000040 THP-1 Homo sapiens (Human)  1
1
IC50 > 100000 nM
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