General Information of the Compound
Compound ID
CP0568050
Compound Name
N-(1,3-dihydro-2-benzofuran-5-yl)-2-(4-methoxyphenyl)acetamide
    Show/Hide
Formula
C17H17NO3
Molecular Weight
283.327
Canonical SMILES
COc1ccc(CC(=O)Nc2ccc3COCc3c2)cc1
    Show/Hide
InChI
InChI=1S/C17H17NO3/c1-20-16-6-2-12(3-7-16)8-17(19)18-15-5-4-13-10-21-11-14(13)9-15/h2-7,9H,8,10-11H2,1H3,(H,18,19)
    Show/Hide
InChIKey
WYQMGZZINWLBBT-UHFFFAOYSA-N
Physicochemical Property
logP
2.9066
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
47.56
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
21

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
ChEMBL ID
CHEMBL5183946
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
   TI
   LI
   LO
   TS