General Information of the Compound
| Compound ID |
CP0463303
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(3,4-dimethoxyphenyl)-2-(1-o-tolyl-1H-tetrazol-5-ylthio)ethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H19N3O3S
|
||||||||||||||||||
| Molecular Weight |
369.446
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1OC)C(=O)CSc1cnnn1-c1ccccc1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H19N3O3S/c1-13-6-4-5-7-15(13)22-19(11-20-21-22)26-12-16(23)14-8-9-17(24-2)18(10-14)25-3/h4-11H,12H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
LBWBRMRSMCYXAL-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