General Information of the Compound
Compound ID
CP0579057
Compound Name
2-(4-methoxyphenyl)-N-(1-oxo-3H-2-benzofuran-5-yl)acetamide
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Structure
Formula
C17H15NO4
Molecular Weight
297.31
Canonical SMILES
COc1ccc(CC(=O)Nc2ccc3C(=O)OCc3c2)cc1
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InChI
InChI=1S/C17H15NO4/c1-21-14-5-2-11(3-6-14)8-16(19)18-13-4-7-15-12(9-13)10-22-17(15)20/h2-7,9H,8,10H2,1H3,(H,18,19)
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InChIKey
UZIVGAMYDPGYSY-UHFFFAOYSA-N
Physicochemical Property
logP
2.5468
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
64.63
Hydrogen Bond Donor Count
1
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: 168296507
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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