General Information of the Compound
Compound ID
CP0441347
Compound Name
(R)-cyclopentyl(2-(3-m-tolyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl)methanone
    Show/Hide
Structure
Formula
C20H25N3O2
Molecular Weight
339.439
Canonical SMILES
Cc1cccc(c1)-c1noc(n1)[C@H]1CCCCN1C(=O)C1CCCC1
    Show/Hide
InChI
InChI=1S/C20H25N3O2/c1-14-7-6-10-16(13-14)18-21-19(25-22-18)17-11-4-5-12-23(17)20(24)15-8-2-3-9-15/h6-7,10,13,15,17H,2-5,8-9,11-12H2,1H3/t17-/m1/s1
    Show/Hide
InChIKey
DAPUEJFIPORGIT-QGZVFWFLSA-N
Physicochemical Property
logP
4.28882
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
59.23
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
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: 812404
ChEMBL ID
CHEMBL1771681
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 = 600 nM
   TI
   LI
   LO
   TS