General Information of the Compound
Compound ID
CP0507624
Compound Name
2-tert-Butyl-naphthalen-1-ol
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Structure
Formula
C14H16O
Molecular Weight
200.281
Canonical SMILES
CC(C)(C)c1ccc2ccccc2c1O
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InChI
InChI=1S/C14H16O/c1-14(2,3)12-9-8-10-6-4-5-7-11(10)13(12)15/h4-9,15H,1-3H3
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InChIKey
PZERHTYUARNDEK-UHFFFAOYSA-N
Physicochemical Property
logP
3.8429
Rotatable Bonds
0
Heavy Atom Count
15
Polar Areas
20.23
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
15

"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).

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PubChem ID
CID: 10910545
SID: 15959876
ChEMBL ID
CHEMBL122254
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 = 180 nM
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