General Information of the Compound
Compound ID
CP0547069
Compound Name
5-(4-fluorophenyl)-3-(3-methoxyphenyl)-1,3-oxazolidin-2-one
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Structure
Formula
C16H14FNO3
Molecular Weight
287.29
Canonical SMILES
COc1cccc(c1)N1CC(OC1=O)c1ccc(F)cc1
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InChI
InChI=1S/C16H14FNO3/c1-20-14-4-2-3-13(9-14)18-10-15(21-16(18)19)11-5-7-12(17)8-6-11/h2-9,15H,10H2,1H3
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InChIKey
WSFCYHWLRWAZNS-UHFFFAOYSA-N
Physicochemical Property
logP
3.5322
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
38.77
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
21

"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: 137637485
ChEMBL ID
CHEMBL4060775
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: PT04078, Acyl-CoA (8-3)-desaturase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000063 Hep-G2 Homo sapiens (Human)  1
1
IC50 = 4.1 nM
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