General Information of the Compound
Compound ID
CP0515806
Compound Name
3-(4-(cyclohexyloxy)benzyl)-5-methyloxazolidin-2-one
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Structure
Formula
C17H23NO3
Molecular Weight
289.375
Canonical SMILES
CC1CN(Cc2ccc(OC3CCCCC3)cc2)C(=O)O1
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InChI
InChI=1S/C17H23NO3/c1-13-11-18(17(19)20-13)12-14-7-9-16(10-8-14)21-15-5-3-2-4-6-15/h7-10,13,15H,2-6,11-12H2,1H3
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InChIKey
UOSWBJFZJZMDQY-UHFFFAOYSA-N
Physicochemical Property
logP
3.7388
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
38.77
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
21

"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: 25173617
SID: 57279545
ChEMBL ID
CHEMBL503572
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 = 236 nM
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