General Information of the Compound
Compound ID
CP0529682
Compound Name
6-Octyloxy-naphthalene-2-carboxylic acid hydroxyamide
    Show/Hide
Structure
Formula
C19H25NO3
Molecular Weight
315.413
Canonical SMILES
CCCCCCCCOc1ccc2cc(ccc2c1)C(=O)NO
    Show/Hide
InChI
InChI=1S/C19H25NO3/c1-2-3-4-5-6-7-12-23-18-11-10-15-13-17(19(21)20-22)9-8-16(15)14-18/h8-11,13-14,22H,2-7,12H2,1H3,(H,20,21)
    Show/Hide
InChIKey
UZVOATCDMMYHHN-UHFFFAOYSA-N
Physicochemical Property
logP
4.6981
Rotatable Bonds
9
Heavy Atom Count
23
Polar Areas
58.56
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
23

"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: 13672351
ChEMBL ID
CHEMBL154899
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 = 7100 nM
   TI
   LI
   LO
   TS