General Information of the Compound
| Compound ID |
CP0374701
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-Benzyl-5-(4-methoxy-phenyl)-2H-[1,2,4]triazole-3-thiol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H15N3OS
|
||||||||||||||||||
| Molecular Weight |
297.383
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)-c1nn(Cc2ccccc2)c(=S)[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H15N3OS/c1-20-14-9-7-13(8-10-14)15-17-16(21)19(18-15)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,17,18,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WBXUXYKEKJBFMR-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