General Information of the Compound
| Compound ID |
CP0570191
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-methoxyphenyl)-3-oxido-[1,2,4]triazolo[1,5-a]pyridin-3-ium
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C13H11N3O2
|
||||||||||||||||||
| Molecular Weight |
241.25
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)-c1nc2ccccn2[n+]1[O-]
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C13H11N3O2/c1-18-11-7-5-10(6-8-11)13-14-12-4-2-3-9-15(12)16(13)17/h2-9H,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
HVCWKISNZSUDJF-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 | |||||||||||||||||||
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