| BioID | bio199741 |
|---|
| Name | ISOBRASSININ |
|---|
| ChEMBL ID | CHEMBL220267 |
|---|
| Molecular Formula | C11H12N2S2 |
|---|
| Molecular Weight | 236.37 |
|---|
| Molecular Weight (Monoisotopic) | 236.0442 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | 2-(S-Methyldithiocarbamoylaminomethyl)Indole|Methyl (Indol-2-Yl)Methyldithiocarbamate |
|---|
| Smiles | CSC(=S)NCc1cc2ccccc2[nH]1 |
|---|
| Inchi | InChI=1S/C11H12N2S2/c1-15-11(14)12-7-9-6-8-4-2-3-5-10(8)13-9/h2-6,13H,7H2,1H3,(H,12,14) |
|---|
| Inchi Key | XXVHTDZCNVORLP-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 6.0 |
|---|
| Bioactivities | 16.0 |
|---|
| Np Likeness Score | -1.08 |
|---|
| Records Key | ['22', '7a, Isobrassinin', '13'] |
|---|
| Records Name | ['methyl (indol-2-yl)methyldithiocarbamate', '2-(S-methyldithiocarbamoylaminomethyl)indole', 'Isobrassinin'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
