General Information of the Compound
Compound ID
CP0393628
Compound Name
[2-(5-methylpyridin-2-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-phenylmethanone
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Structure
Formula
C19H17N3O2
Molecular Weight
319.364
Canonical SMILES
Cc1ccc(nc1)-c1nc2CN(CCc2o1)C(=O)c1ccccc1
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InChI
InChI=1S/C19H17N3O2/c1-13-7-8-15(20-11-13)18-21-16-12-22(10-9-17(16)24-18)19(23)14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3
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InChIKey
VKKAUXZGTHZQHP-UHFFFAOYSA-N
Physicochemical Property
logP
3.24352
Rotatable Bonds
2
Heavy Atom Count
24
Polar Areas
59.23
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
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: 137646682
ChEMBL ID
CHEMBL4081862
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: PT00854, Metabotropic glutamate receptor 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 177 nM
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