General Information of the Compound
Compound ID
CP0457857
Compound Name
3-(2,5-dimethoxyphenyl)-5-(4-fluorophenyl)-1,3-oxazolidin-2-one
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Structure
Formula
C17H16FNO4
Molecular Weight
317.316
Canonical SMILES
COc1ccc(OC)c(c1)N1CC(OC1=O)c1ccc(F)cc1
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InChI
InChI=1S/C17H16FNO4/c1-21-13-7-8-15(22-2)14(9-13)19-10-16(23-17(19)20)11-3-5-12(18)6-4-11/h3-9,16H,10H2,1-2H3
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InChIKey
HMXHMRJOGMIMQI-UHFFFAOYSA-N
Physicochemical Property
logP
3.5408
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
48
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
23

"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: 137643814
ChEMBL ID
CHEMBL4090490
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 = 18 nM
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