General Information of the Compound
Compound ID
CP0053625
Compound Name
4-(4-fluorophenyl)-3-phenyl-2H-furan-5-one
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Structure
Formula
C16H11FO2
Molecular Weight
254.26
Canonical SMILES
Fc1ccc(cc1)C1=C(COC1=O)c1ccccc1
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InChI
InChI=1S/C16H11FO2/c17-13-8-6-12(7-9-13)15-14(10-19-16(15)18)11-4-2-1-3-5-11/h1-9H,10H2
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InChIKey
VKGMHNWSONUQEC-UHFFFAOYSA-N
Physicochemical Property
logP
3.2933
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
26.3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
19

"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: 21858549
ChEMBL ID
CHEMBL3357095
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: PT00940, Prostaglandin G/H synthase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000249 OVCAR-3 Homo sapiens (Human)  1
1
IC50 = 2800 nM
   TI
   LI
   LO
   TS
Protein ID: PT00901, Prostaglandin G/H synthase 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000980 MDA-1483 Homo sapiens (Human)  1
1
IC50 > 5000 nM
   TI
   LI
   LO
   TS