General Information of the Compound
| Compound ID |
CP0539207
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(3-chloro-2-methoxyphenyl)-5-thieno[2,3-b]pyridin-5-yl-1,2,4-oxadiazole
Show/Hide
|
||||||||||||||||||
| Formula |
C16H10ClN3O2S
|
||||||||||||||||||
| Molecular Weight |
343.795
|
||||||||||||||||||
| Canonical SMILES |
COc1c(Cl)cccc1-c1noc(n1)-c1cnc2sccc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H10ClN3O2S/c1-21-13-11(3-2-4-12(13)17)14-19-15(22-20-14)10-7-9-5-6-23-16(9)18-8-10/h2-8H,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
KZPVKYLVBQNIHG-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 | |||||||||||||||||||
| 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