General Information of the Compound
| Compound ID |
CP0951786
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-(4-(3-(benzyloxy)benzyloxy)benzofuran-2-yl)-2-(methylthio)imidazo[2,1-b][1,3,4]thiadiazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H21N3O3S2
|
||||||||||||||||||
| Molecular Weight |
499.617
|
||||||||||||||||||
| Canonical SMILES |
CSc1nn2cc(-c3cc4c(OCc5cccc(OCc6ccccc6)c5)cccc4o3)nc2s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H21N3O3S2/c1-34-27-29-30-15-22(28-26(30)35-27)25-14-21-23(11-6-12-24(21)33-25)32-17-19-9-5-10-20(13-19)31-16-18-7-3-2-4-8-18/h2-15H,16-17H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
VAMRPHWNSLZIRF-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