General Information of the Compound
Compound ID
CP0381285
Compound Name
(2-fluorophenyl)-[(2S)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
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Structure
Formula
C19H16FN3O2
Molecular Weight
337.354
Canonical SMILES
Cc1cccc(c1)-c1noc(n1)[C@@H]1CCN1C(=O)c1ccccc1F
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InChI
InChI=1S/C19H16FN3O2/c1-12-5-4-6-13(11-12)17-21-18(25-22-17)16-9-10-23(16)19(24)14-7-2-3-8-15(14)20/h2-8,11,16H,9-10H2,1H3/t16-/m0/s1
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InChIKey
QIOAJXHUUWMBSP-INIZCTEOSA-N
Physicochemical Property
logP
3.77132
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
59.23
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
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: 71461935
SID: 163440885
ChEMBL ID
CHEMBL2151632
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
CL000006 HEK293 Homo sapiens (Human)  2
1
EC50 > 10000 nM
   TI
   LI
   LO
   TS
2
IC50 = 1800 nM
   TI
   LI
   LO
   TS