General Information of the Compound
| Compound ID |
CP0464947
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-Benzyl-5-pyridin-4-yl-2H-[1,2,4]triazole-3-thiol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H12N4S
|
||||||||||||||||||
| Molecular Weight |
268.345
|
||||||||||||||||||
| Canonical SMILES |
S=c1[nH]c(nn1Cc1ccccc1)-c1ccncc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H12N4S/c19-14-16-13(12-6-8-15-9-7-12)17-18(14)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17,19)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CQJLQYCVAAQEPN-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