General Information of the Compound
Compound ID
CP0462038
Compound Name
(4R,5R)-5-phenyl-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one
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Structure
Formula
C23H17NO2
Molecular Weight
339.394
Canonical SMILES
O=C1N[C@@H]([C@H](O1)c1ccccc1)c1cccc(c1)C#Cc1ccccc1
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InChI
InChI=1S/C23H17NO2/c25-23-24-21(22(26-23)19-11-5-2-6-12-19)20-13-7-10-18(16-20)15-14-17-8-3-1-4-9-17/h1-13,16,21-22H,(H,24,25)/t21-,22-/m1/s1
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InChIKey
WNOORNNENVRQKM-FGZHOGPDSA-N
Physicochemical Property
logP
4.6086
Rotatable Bonds
2
Heavy Atom Count
26
Polar Areas
38.33
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
26

"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: 69081973
ChEMBL ID
CHEMBL4516570
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 = 38 nM
   TI
   LI
   LO
   TS
2
Ki = 8.9 nM
   TI
   LI
   LO
   TS