General Information of the Compound
| Compound ID |
CP0547816
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-Bromo-6-(5-chloro-6-methoxybenzofuran-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C13H7BrClN3O2S
|
||||||||||||||||||
| Molecular Weight |
384.642
|
||||||||||||||||||
| Canonical SMILES |
COc1cc2oc(cc2cc1Cl)-c1cn2nc(Br)sc2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C13H7BrClN3O2S/c1-19-10-4-9-6(2-7(10)15)3-11(20-9)8-5-18-13(16-8)21-12(14)17-18/h2-5H,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
OBDXMNPHNNSQGU-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