General Information of the Compound
Compound ID
CP0523566
Compound Name
cyclobutyl-[3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
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Structure
Formula
C17H19N3O2
Molecular Weight
297.358
Canonical SMILES
Cc1cccc(c1)-c1noc(n1)C1CN(C1)C(=O)C1CCC1
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InChI
InChI=1S/C17H19N3O2/c1-11-4-2-7-13(8-11)15-18-16(22-19-15)14-9-20(10-14)17(21)12-5-3-6-12/h2,4,7-8,12,14H,3,5-6,9-10H2,1H3
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InChIKey
RMMSBUXVKLWQSQ-UHFFFAOYSA-N
Physicochemical Property
logP
2.77092
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
59.23
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
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: 71451184
SID: 163440810
ChEMBL ID
CHEMBL2151489
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)  2
1
EC50 > 10000 nM
   TI
   LI
   LO
   TS
2
IC50 = 1000 nM
   TI
   LI
   LO
   TS