General Information of the Compound
Compound ID
CP0504170
Compound Name
(R)-5-methyl-3-(4-(pyridin-4-yl)benzyl)oxazolidin-2-one
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Structure
Formula
C16H16N2O2
Molecular Weight
268.316
Canonical SMILES
C[C@@H]1CN(Cc2ccc(cc2)-c2ccncc2)C(=O)O1
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InChI
InChI=1S/C16H16N2O2/c1-12-10-18(16(19)20-12)11-13-2-4-14(5-3-13)15-6-8-17-9-7-15/h2-9,12H,10-11H2,1H3/t12-/m1/s1
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InChIKey
CCCHHGSPZLGUAW-GFCCVEGCSA-N
Physicochemical Property
logP
3.0893
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
42.43
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
20

"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: 44591774
ChEMBL ID
CHEMBL520300
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 = 4790 nM
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