General Information of the Compound
Compound ID
CP0513219
Compound Name
2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzamide
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Structure
Formula
C14H10N4O2
Molecular Weight
266.26
Canonical SMILES
NC(=O)c1ccccc1-c1nc(no1)-c1ccccn1
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InChI
InChI=1S/C14H10N4O2/c15-12(19)9-5-1-2-6-10(9)14-17-13(18-20-14)11-7-3-4-8-16-11/h1-8H,(H2,15,19)
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InChIKey
FVEMCIWDFQNRAM-UHFFFAOYSA-N
Physicochemical Property
logP
1.8975
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
94.9
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
20

"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: 71451554
SID: 163445471
ChEMBL ID
CHEMBL2164540
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 = 3300 nM
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