General Information of the Compound
Compound ID
CP0483409
Compound Name
(R)-cyclopropyl(2-(3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl)piperidin-1-yl)methanone
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Structure
Formula
C17H18FN3O2
Molecular Weight
315.348
Canonical SMILES
Fc1cccc(c1)-c1noc(n1)[C@H]1CCCCN1C(=O)C1CC1
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InChI
InChI=1S/C17H18FN3O2/c18-13-5-3-4-12(10-13)15-19-16(23-20-15)14-6-1-2-9-21(14)17(22)11-7-8-11/h3-5,10-11,14H,1-2,6-9H2/t14-/m1/s1
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InChIKey
ZGKJHOFNMZJGCV-CQSZACIVSA-N
Physicochemical Property
logP
3.3393
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: 54582620
SID: 135628713
ChEMBL ID
CHEMBL1771680
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 = 80 nM
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