| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 16th, 2008 | 14 | No |
Popular Name: Cinnamaldehyde thiosemicarbazone Cinnamaldehyde thiosemicarbazone
Find On: PubMed — Wikipedia — Google
CAS Numbers: 5351-70-2 , [5351-70-2]
2-(3-phenylprop-2-enylidene)hydrazine-1-carbothioamide
2-[(E,2E)-3-phenyl-2-propenylidene]-1-hydrazinecarbothioamide
3-phenylacrylaldehyde thiosemicarbazone
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.11 | 5.62 | -11.77 | 3 | 3 | 0 | 50 | 205.286 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US4199359; US4219475; US4273926 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50466-7-O | Trypanosoma Cruzi (cluster #7 Of 8), Other | Other | 7400 | 0.51 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50466 | Z50466 | Trypanosoma Cruzi | 7300 | 0.51 | Functional ≤ 10μM |
