General Information of the Compound
Compound ID
CP0483420
Compound Name
(R)-cyclohexyl(2-(3-m-tolyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl)methanone
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Structure
Formula
C21H27N3O2
Molecular Weight
353.466
Canonical SMILES
Cc1cccc(c1)-c1noc(n1)[C@H]1CCCCN1C(=O)C1CCCCC1
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InChI
InChI=1S/C21H27N3O2/c1-15-8-7-11-17(14-15)19-22-20(26-23-19)18-12-5-6-13-24(18)21(25)16-9-3-2-4-10-16/h7-8,11,14,16,18H,2-6,9-10,12-13H2,1H3/t18-/m1/s1
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InChIKey
CFHLROMIEPTBTD-GOSISDBHSA-N
Physicochemical Property
logP
4.67892
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
59.23
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
26

"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: 7298720
ChEMBL ID
CHEMBL1771683
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 = 2500 nM
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