General Information of the Compound
Compound ID
CP0498533
Compound Name
(R)-3-((5-(3,4-difluorophenyl)pyridin-2-yl)methyl)-5-methyloxazolidin-2-one
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Structure
Formula
C16H14F2N2O2
Molecular Weight
304.296
Canonical SMILES
C[C@@H]1CN(Cc2ccc(cn2)-c2ccc(F)c(F)c2)C(=O)O1
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InChI
InChI=1S/C16H14F2N2O2/c1-10-8-20(16(21)22-10)9-13-4-2-12(7-19-13)11-3-5-14(17)15(18)6-11/h2-7,10H,8-9H2,1H3/t10-/m1/s1
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InChIKey
KNRPZXZZIUPJGN-SNVBAGLBSA-N
Physicochemical Property
logP
3.3675
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
42.43
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
22

"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: 44591797
ChEMBL ID
CHEMBL484958
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: PT01748, Metabotropic glutamate receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 1800 nM
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