General Information of the Compound
Compound ID
CP0498989
Compound Name
(R)-cyclobutyl(2-(3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl)piperidin-1-yl)methanone
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Structure
Formula
C19H23N3O3
Molecular Weight
341.411
Canonical SMILES
COc1cccc(c1)-c1noc(n1)[C@H]1CCCCN1C(=O)C1CCC1
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InChI
InChI=1S/C19H23N3O3/c1-24-15-9-5-8-14(12-15)17-20-18(25-21-17)16-10-2-3-11-22(16)19(23)13-6-4-7-13/h5,8-9,12-13,16H,2-4,6-7,10-11H2,1H3/t16-/m1/s1
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InChIKey
MBAGGIFLYQBGOQ-MRXNPFEDSA-N
Physicochemical Property
logP
3.5989
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
68.46
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
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).

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PubChem ID
CID: 812719
ChEMBL ID
CHEMBL1771678
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 = 300 nM
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