General Information of the Compound
| Compound ID |
CP0486371
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-Benzyl-5-(2,3-dichloro-phenyl)-2H-[1,2,4]triazole-3-thiol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H11Cl2N3S
|
||||||||||||||||||
| Molecular Weight |
336.247
|
||||||||||||||||||
| Canonical SMILES |
Clc1cccc(-c2nn(Cc3ccccc3)c(=S)[nH]2)c1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H11Cl2N3S/c16-12-8-4-7-11(13(12)17)14-18-15(21)20(19-14)9-10-5-2-1-3-6-10/h1-8H,9H2,(H,18,19,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XESXGVJQZWEHHU-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