General Information of the Compound
Compound ID
CP0498992
Compound Name
(R)-(3-fluorophenyl)(2-(3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl)piperidin-1-yl)methanone
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Structure
Formula
C20H17F2N3O2
Molecular Weight
369.371
Canonical SMILES
Fc1cccc(c1)C(=O)N1CCCC[C@@H]1c1nc(no1)-c1cccc(F)c1
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InChI
InChI=1S/C20H17F2N3O2/c21-15-7-3-5-13(11-15)18-23-19(27-24-18)17-9-1-2-10-25(17)20(26)14-6-4-8-16(22)12-14/h3-8,11-12,17H,1-2,9-10H2/t17-/m1/s1
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InChIKey
IXTSWRCNBQFSPA-QGZVFWFLSA-N
Physicochemical Property
logP
4.3822
Rotatable Bonds
3
Heavy Atom Count
27
Polar Areas
59.23
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
27

"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: 54580617
ChEMBL ID
CHEMBL1771689
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
EC50 = 460 nM
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