General Information of the Compound
| Compound ID |
CP0377959
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(2-Chloro-phenyl)-3-(4-trifluoromethyl-phenyl)-[1,2,4]oxadiazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H8ClF3N2O
|
||||||||||||||||||
| Molecular Weight |
324.689
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1ccc(cc1)-c1noc(n1)-c1ccccc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H8ClF3N2O/c16-12-4-2-1-3-11(12)14-20-13(21-22-14)9-5-7-10(8-6-9)15(17,18)19/h1-8H
Show/Hide
|
||||||||||||||||||
| InChIKey |
MUQPUOBOTRIGBN-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"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). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
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