General Information of the Compound
Compound ID
CP0511121
Compound Name
2-Fluoro-2-phenyl-indan-1,3-dione
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Structure
Formula
C15H9FO2
Molecular Weight
240.233
Canonical SMILES
FC1(C(=O)c2ccccc2C1=O)c1ccccc1
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InChI
InChI=1S/C15H9FO2/c16-15(10-6-2-1-3-7-10)13(17)11-8-4-5-9-12(11)14(15)18/h1-9H
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InChIKey
WODHYLKBRMKQDN-UHFFFAOYSA-N
Physicochemical Property
logP
2.9306
Rotatable Bonds
1
Heavy Atom Count
18
Polar Areas
34.14
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
18

"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: 15001724
ChEMBL ID
CHEMBL24960
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 = 1700 nM
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