General Information of the Compound
Compound ID
CP0462772
Compound Name
(R)-cyclopropyl(2-(3-m-tolyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl)methanone
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Structure
Formula
C18H21N3O2
Molecular Weight
311.385
Canonical SMILES
Cc1cccc(c1)-c1noc(n1)[C@H]1CCCCN1C(=O)C1CC1
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InChI
InChI=1S/C18H21N3O2/c1-12-5-4-6-14(11-12)16-19-17(23-20-16)15-7-2-3-10-21(15)18(22)13-8-9-13/h4-6,11,13,15H,2-3,7-10H2,1H3/t15-/m1/s1
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InChIKey
WWHUAHHBOXKYNY-OAHLLOKOSA-N
Physicochemical Property
logP
3.50862
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
59.23
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
23

"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: 54582619
ChEMBL ID
CHEMBL1771679
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)  2
1
IC50 = 280 nM
   TI
   LI
   LO
   TS
2
IC50 = 370 nM
   TI
   LI
   LO
   TS