General Information of the Compound
Compound ID
CP0400700
Compound Name
5-[(4-tert-butylphenoxy)methyl]-3-phenyl-1,3-oxazolidin-2-one
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Structure
Formula
C20H23NO3
Molecular Weight
325.408
Canonical SMILES
CC(C)(C)c1ccc(OCC2CN(C(=O)O2)c2ccccc2)cc1
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InChI
InChI=1S/C20H23NO3/c1-20(2,3)15-9-11-17(12-10-15)23-14-18-13-21(19(22)24-18)16-7-5-4-6-8-16/h4-12,18H,13-14H2,1-3H3
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InChIKey
AUWQGNKAKYHFEN-UHFFFAOYSA-N
Physicochemical Property
logP
4.3883
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
38.77
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
24

"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: 46887372
ChEMBL ID
CHEMBL1096713
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 = 240 nM
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