General Information of the Compound
Compound ID
CP0515230
Compound Name
6-Allyloxy-naphthalene-2-carboxylic acid hydroxyamide
    Show/Hide
Structure
Formula
C14H13NO3
Molecular Weight
243.262
Canonical SMILES
ONC(=O)c1ccc2cc(OCC=C)ccc2c1
    Show/Hide
InChI
InChI=1S/C14H13NO3/c1-2-7-18-13-6-5-10-8-12(14(16)15-17)4-3-11(10)9-13/h2-6,8-9,17H,1,7H2,(H,15,16)
    Show/Hide
InChIKey
FENAEIHFSYBEND-UHFFFAOYSA-N
Physicochemical Property
logP
2.5236
Rotatable Bonds
4
Heavy Atom Count
18
Polar Areas
58.56
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
18

"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: 13672352
ChEMBL ID
CHEMBL175903
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 = 4600 nM
   TI
   LI
   LO
   TS