General Information of the Compound
| Compound ID |
CP0478449
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(benzotriazol-1-ylmethyl)-6-(3-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H13N7OS
|
||||||||||||||||||
| Molecular Weight |
363.406
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(c1)-c1nn2c(Cn3nnc4ccccc34)nnc2s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H13N7OS/c1-25-12-6-4-5-11(9-12)16-21-24-15(19-20-17(24)26-16)10-23-14-8-3-2-7-13(14)18-22-23/h2-9H,10H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
RTNKFVVXJBHIGP-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