General Information of the Compound
| Compound ID |
CP0506391
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(2,4-Dichloro-phenyl)-2-(3-methoxy-benzyl)-2H-[1,2,4]triazole-3-thiol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H13Cl2N3OS
|
||||||||||||||||||
| Molecular Weight |
366.273
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(Cn2nc([nH]c2=S)-c2ccc(Cl)cc2Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H13Cl2N3OS/c1-22-12-4-2-3-10(7-12)9-21-16(23)19-15(20-21)13-6-5-11(17)8-14(13)18/h2-8H,9H2,1H3,(H,19,20,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RGXGUTSWTNWGMM-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