General Information of the Compound
Compound ID
CP0468677
Compound Name
5-((3-methoxyphenoxy)methyl)-3-phenyloxazolidin-2-one
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Structure
Formula
C17H17NO4
Molecular Weight
299.326
Canonical SMILES
COc1cccc(OCC2CN(C(=O)O2)c2ccccc2)c1
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InChI
InChI=1S/C17H17NO4/c1-20-14-8-5-9-15(10-14)21-12-16-11-18(17(19)22-16)13-6-3-2-4-7-13/h2-10,16H,11-12H2,1H3
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InChIKey
XCGKJWZMKCFLLB-UHFFFAOYSA-N
Physicochemical Property
logP
3.0994
Rotatable Bonds
5
Heavy Atom Count
22
Polar Areas
48
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
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: 46887415
ChEMBL ID
CHEMBL1094415
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
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 4110 nM
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