General Information of the Compound
Compound ID
CP0520216
Compound Name
2-Furan-2-ylmethyl-naphthalen-1-ol
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Structure
Formula
C15H12O2
Molecular Weight
224.259
Canonical SMILES
Oc1c(Cc2ccco2)ccc2ccccc12
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InChI
InChI=1S/C15H12O2/c16-15-12(10-13-5-3-9-17-13)8-7-11-4-1-2-6-14(11)15/h1-9,16H,10H2
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InChIKey
SXGZZKOBTKWQQC-UHFFFAOYSA-N
Physicochemical Property
logP
3.7292
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
33.37
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
17

"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: 19908181
ChEMBL ID
CHEMBL421079
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 = 37 nM
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