General Information of the Compound
| Compound ID |
CP0449732
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-methyl-3-(phenoxymethyl)-5-propan-2-ylsulfanyl-1,2,4-triazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C13H17N3OS
|
||||||||||||||||||
| Molecular Weight |
263.366
|
||||||||||||||||||
| Canonical SMILES |
CC(C)Sc1nnc(COc2ccccc2)n1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C13H17N3OS/c1-10(2)18-13-15-14-12(16(13)3)9-17-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
CGRPKYVIMKAWTJ-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