General Information of the Compound
Compound ID
CP0883848
Compound Name
(4R,5R)-5-Phenyl-4-(4-(phenylethynyl)pyridin-2-yl)oxazolidin-2-one
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Structure
Formula
C22H16N2O2
Molecular Weight
340.382
Canonical SMILES
O=C1N[C@H](c2cc(C#Cc3ccccc3)ccn2)[C@@H](c2ccccc2)O1
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InChI
InChI=1S/C22H16N2O2/c25-22-24-20(21(26-22)18-9-5-2-6-10-18)19-15-17(13-14-23-19)12-11-16-7-3-1-4-8-16/h1-10,13-15,20-21H,(H,24,25)/t20-,21-/m1/s1
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InChIKey
MLGSJJSDUUXPSV-NHCUHLMSSA-N
Physicochemical Property
logP
4.0036
Rotatable Bonds
2
Heavy Atom Count
26
Polar Areas
51.22
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 69086317
ChEMBL ID
CHEMBL3805655
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 > 3000 nM
   TI
   LI
   LO
   TS
2
Ki = 10 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 10 nM