General Information of the Compound
Compound ID
CP0480905
Compound Name
5-(3-methylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
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Structure
Formula
C14H11N3O
Molecular Weight
237.262
Canonical SMILES
Cc1cccc(c1)-c1nc(no1)-c1ccccn1
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InChI
InChI=1S/C14H11N3O/c1-10-5-4-6-11(9-10)14-16-13(17-18-14)12-7-2-3-8-15-12/h2-9H,1H3
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InChIKey
NPHDXXRKYHPQLD-UHFFFAOYSA-N
Physicochemical Property
logP
3.10702
Rotatable Bonds
2
Heavy Atom Count
18
Polar Areas
51.81
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
18

"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: 3156022
SID: 15196345
ChEMBL ID
CHEMBL2164558
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 = 443 nM
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