General Information of the Compound
Compound ID
CP0497870
Compound Name
3-(4-(1-cyclohexylethoxy)benzyl)-5-methyloxazolidin-2-one
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Structure
Formula
C19H27NO3
Molecular Weight
317.429
Canonical SMILES
CC(Oc1ccc(CN2CC(C)OC2=O)cc1)C1CCCCC1
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InChI
InChI=1S/C19H27NO3/c1-14-12-20(19(21)22-14)13-16-8-10-18(11-9-16)23-15(2)17-6-4-3-5-7-17/h8-11,14-15,17H,3-7,12-13H2,1-2H3
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InChIKey
AZJQUEMFTHBOCO-UHFFFAOYSA-N
Physicochemical Property
logP
4.3749
Rotatable Bonds
5
Heavy Atom Count
23
Polar Areas
38.77
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
23

"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: 25173616
SID: 57279544
ChEMBL ID
CHEMBL484731
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 = 7.9 nM
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