General Information of the Compound
Compound ID
CP0475408
Compound Name
methyl 3-(5-hexyl-2-oxo-1,3-oxazolidin-3-yl)benzoate
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Structure
Formula
C17H23NO4
Molecular Weight
305.374
Canonical SMILES
CCCCCCC1CN(C(=O)O1)c1cccc(c1)C(=O)OC
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InChI
InChI=1S/C17H23NO4/c1-3-4-5-6-10-15-12-18(17(20)22-15)14-9-7-8-13(11-14)16(19)21-2/h7-9,11,15H,3-6,10,12H2,1-2H3
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InChIKey
DMCNDGJTXGMPGG-UHFFFAOYSA-N
Physicochemical Property
logP
3.7688
Rotatable Bonds
7
Heavy Atom Count
22
Polar Areas
55.84
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: 44155989
SID: 85155870
ChEMBL ID
CHEMBL1094461
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 = 1350 nM
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