General Information of the Compound
Compound ID
CP0507547
Compound Name
2-(4-Fluoro-phenyl)-N-hydroxy-N-methyl-3-naphthalen-2-yl-acrylamide
    Show/Hide
Structure
Formula
C20H16FNO2
Molecular Weight
321.351
Canonical SMILES
CN(O)C(=O)C(=C\c1ccc2ccccc2c1)\c1ccc(F)cc1
    Show/Hide
InChI
InChI=1S/C20H16FNO2/c1-22(24)20(23)19(16-8-10-18(21)11-9-16)13-14-6-7-15-4-2-3-5-17(15)12-14/h2-13,24H,1H3/b19-13+
    Show/Hide
InChIKey
UTLQBDHMJVWHLU-CPNJWEJPSA-N
Physicochemical Property
logP
4.3671
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
40.54
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
24

"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: 44386603
ChEMBL ID
CHEMBL177661
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 = 950 nM
   TI
   LI
   LO
   TS