| BioID | bio198849 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL195506 |
|---|
| Molecular Formula | C10H12N4O2S |
|---|
| Molecular Weight | 252.3 |
|---|
| Molecular Weight (Monoisotopic) | 252.0681 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | 2-Nitrobenzaldehyde N-Ethylthiosemicarbazone |
|---|
| Smiles | CC/N=C(/S)N/N=C/c1ccccc1[N+](=O)[O-] |
|---|
| Inchi | InChI=1S/C10H12N4O2S/c1-2-11-10(17)13-12-7-8-5-3-4-6-9(8)14(15)16/h3-7H,2H2,1H3,(H2,11,13,17)/b12-7+ |
|---|
| Inchi Key | LOWLTCNTWJSYBU-KPKJPENVSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 12.0 |
|---|
| Bioactivities | 18.0 |
|---|
| Np Likeness Score | -1.86 |
|---|
| Records Key | ['2f', 'SID24829005'] |
|---|
| Records Name | ['2-nitrobenzaldehyde N-ethylthiosemicarbazone', 'SID24829005'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
