General Information of the Compound
Compound ID
CP0041593
Compound Name
1-Naphthalenol
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Structure
Formula
C10H8O
Molecular Weight
144.173
Canonical SMILES
Oc1cccc2ccccc12
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InChI
InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H
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InChIKey
KJCVRFUGPWSIIH-UHFFFAOYSA-N
CAS
90-15-3
50356-21-3
Physicochemical Property
logP
2.5454
Rotatable Bonds
0
Heavy Atom Count
11
Polar Areas
20.23
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
11

"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: 7005
SID: 15170814
ChEMBL ID
CHEMBL122617
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 = 3600 nM
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