General Information of the Compound
Compound ID
CP0496428
Compound Name
2-Naphthalen-2-ylmethyl-naphthalen-1-ol
    Show/Hide
Structure
Formula
C21H16O
Molecular Weight
284.358
Canonical SMILES
Oc1c(Cc2ccc3ccccc3c2)ccc2ccccc12
    Show/Hide
InChI
InChI=1S/C21H16O/c22-21-19(12-11-17-6-3-4-8-20(17)21)14-15-9-10-16-5-1-2-7-18(16)13-15/h1-13,22H,14H2
    Show/Hide
InChIKey
NAIZARKZXWBYBV-UHFFFAOYSA-N
Physicochemical Property
logP
5.2894
Rotatable Bonds
2
Heavy Atom Count
22
Polar Areas
20.23
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
22

"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: 14854909
ChEMBL ID
CHEMBL421278
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 = 58 nM
   TI
   LI
   LO
   TS