General Information of the Compound
| Compound ID |
CP0549395
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-Methoxy-6-(6-methoxy-4-((3-(pyrimidin-5-yl)benzyl)oxy)benzofuran-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H19N5O4S
|
||||||||||||||||||
| Molecular Weight |
485.525
|
||||||||||||||||||
| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(c3)-c3cncnc3)cc(OC)cc2o1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H19N5O4S/c1-31-18-7-21(33-13-15-4-3-5-16(6-15)17-10-26-14-27-11-17)19-9-23(34-22(19)8-18)20-12-30-24(28-20)35-25(29-30)32-2/h3-12,14H,13H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
XTFJJLKNNRUJJV-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