General Information of the Compound
Compound ID
CP0448311
Compound Name
N-hydroxy-N-[1-[2-(6-methoxynaphthalen-2-yl)-1-benzofuran-5-yl]ethyl]acetamide
    Show/Hide
Structure
Formula
C23H21NO4
Molecular Weight
375.424
Canonical SMILES
COc1ccc2cc(ccc2c1)-c1cc2cc(ccc2o1)C(C)N(O)C(C)=O
    Show/Hide
InChI
InChI=1S/C23H21NO4/c1-14(24(26)15(2)25)16-7-9-22-20(10-16)13-23(28-22)19-5-4-18-12-21(27-3)8-6-17(18)11-19/h4-14,26H,1-3H3
    Show/Hide
InChIKey
LWSNDAYNVFVPSH-UHFFFAOYSA-N
Physicochemical Property
logP
5.5603
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
62.91
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
28

"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
PubChem ID
CID: 9976745
SID: 14954562
ChEMBL ID
CHEMBL421255
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: PT01743, Polyunsaturated fatty acid 5-lipoxygenase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000194 RBL-1 Rattus norvegicus (Rat)  1
1
IC50 = 120 nM
   TI
   LI
   LO
   TS