General Information of the Compound
Compound ID
CP0439095
Compound Name
(3-Benzyl-4-hydroxy-naphthalen-1-yl)-phenyl-methanone
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Structure
Formula
C24H18O2
Molecular Weight
338.406
Canonical SMILES
Oc1c(Cc2ccccc2)cc(C(=O)c2ccccc2)c2ccccc12
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InChI
InChI=1S/C24H18O2/c25-23(18-11-5-2-6-12-18)22-16-19(15-17-9-3-1-4-10-17)24(26)21-14-8-7-13-20(21)22/h1-14,16,26H,15H2
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InChIKey
ZUFIYCWBWHBUBX-UHFFFAOYSA-N
Physicochemical Property
logP
5.3672
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
37.3
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
26

"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: 15617896
ChEMBL ID
CHEMBL414425
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 = 54 nM
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