General Information of the Compound
Compound ID
CP0070609
Compound Name
(R)-3-((2',4'-difluorobiphenyl-4-yl)methyl)-5-methyloxazolidin-2-one
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Structure
Formula
C17H15F2NO2
Molecular Weight
303.308
Canonical SMILES
C[C@@H]1CN(Cc2ccc(cc2)-c2ccc(F)cc2F)C(=O)O1
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InChI
InChI=1S/C17H15F2NO2/c1-11-9-20(17(21)22-11)10-12-2-4-13(5-3-12)15-7-6-14(18)8-16(15)19/h2-8,11H,9-10H2,1H3/t11-/m1/s1
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InChIKey
NZMJQXONLWEBCO-LLVKDONJSA-N
Physicochemical Property
logP
3.9725
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
29.54
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
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: 44591773
ChEMBL ID
CHEMBL483751
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 = 70 nM
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