General Information of the Compound
Compound ID
CP0090288
Compound Name
(4R,5R)-5-(3-fluorophenyl)-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one
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Structure
Formula
C23H16FNO2
Molecular Weight
357.384
Canonical SMILES
Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cccc(c1)C#Cc1ccccc1
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InChI
InChI=1S/C23H16FNO2/c24-20-11-5-10-19(15-20)22-21(25-23(26)27-22)18-9-4-8-17(14-18)13-12-16-6-2-1-3-7-16/h1-11,14-15,21-22H,(H,25,26)/t21-,22-/m1/s1
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InChIKey
ONZBAIHVFMEUIY-FGZHOGPDSA-N
Physicochemical Property
logP
4.7477
Rotatable Bonds
2
Heavy Atom Count
27
Polar Areas
38.33
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
27

"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: 69083336
ChEMBL ID
CHEMBL3805340
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: PT00854, Metabotropic glutamate receptor 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
EC50 = 15 nM
   TI
   LI
   LO
   TS
2
EC50 > 30000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 6.5 nM