General Information of the Compound
| Compound ID |
CP0495355
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(4-Chloro-phenyl)-5-thiophen-2-yl-[1,2,4]oxadiazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C12H7ClN2OS
|
||||||||||||||||||
| Molecular Weight |
262.721
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(cc1)-c1noc(n1)-c1cccs1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C12H7ClN2OS/c13-9-5-3-8(4-6-9)11-14-12(16-15-11)10-2-1-7-17-10/h1-7H
Show/Hide
|
||||||||||||||||||
| InChIKey |
POWVNIDZGWSXOM-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
Protein ID: PT01014, Caspase-3