General Information of the Compound
Compound ID
CP0563156
Compound Name
2-(3-fluoro-4-methoxyphenyl)-5-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole
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Structure
Formula
C18H11F4N5O3
Molecular Weight
421.31
Canonical SMILES
COc1ccc(cc1F)-c1nnc(o1)-c1cc(OC(F)(F)F)ccc1-n1cncn1
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InChI
InChI=1S/C18H11F4N5O3/c1-28-15-5-2-10(6-13(15)19)16-25-26-17(29-16)12-7-11(30-18(20,21)22)3-4-14(12)27-9-23-8-24-27/h2-9H,1H3
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InChIKey
CYAAJEPOZNKZEL-UHFFFAOYSA-N
Physicochemical Property
logP
4.0306
Rotatable Bonds
5
Heavy Atom Count
30
Polar Areas
88.09
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
8
Complexity
30

"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: 155557634
ChEMBL ID
CHEMBL4558967
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: PT03457, Metabotropic glutamate receptor 7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 30000 nM
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