General Information of the Compound
| Compound ID |
CP0853653
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-methoxy-6-(6-nitrobenzofuran-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C13H8N4O4S
|
||||||||||||||||||
| Molecular Weight |
316.298
|
||||||||||||||||||
| Canonical SMILES |
COc1nn2cc(-c3cc4ccc([N+](=O)[O-])cc4o3)nc2s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C13H8N4O4S/c1-20-13-15-16-6-9(14-12(16)22-13)11-4-7-2-3-8(17(18)19)5-10(7)21-11/h2-6H,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
HJXKYCCDEOGDTP-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