General Information of the Compound
Compound ID
CP0486670
Compound Name
(S)-cyclobutyl(3-(3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl)piperidin-1-yl)methanone
    Show/Hide
Structure
Formula
C19H23N3O3
Molecular Weight
341.411
Canonical SMILES
COc1cccc(c1)-c1noc(n1)[C@H]1CCCN(C1)C(=O)C1CCC1
    Show/Hide
InChI
InChI=1S/C19H23N3O3/c1-24-16-9-3-7-14(11-16)17-20-18(25-21-17)15-8-4-10-22(12-15)19(23)13-5-2-6-13/h3,7,9,11,13,15H,2,4-6,8,10,12H2,1H3/t15-/m0/s1
    Show/Hide
InChIKey
KIVCLWIXIFBBDX-HNNXBMFYSA-N
Physicochemical Property
logP
3.2513
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
68.46
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
25

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 812702
ChEMBL ID
CHEMBL1771623
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
CL000050 HEK293-A Homo sapiens (Human)  1
1
IC50 = 1800 nM
   TI
   LI
   LO
   TS