| BioID | bio198703 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL279779 |
|---|
| Molecular Formula | C14H20N4S |
|---|
| Molecular Weight | 276.41 |
|---|
| Molecular Weight (Monoisotopic) | 276.1409 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | 2-Acetylpyridinehexamethyleneimine-Thiosemicarbazone |
|---|
| Smiles | C/C(=N\NC(=S)N1CCCCCC1)c1ccccn1 |
|---|
| Inchi | InChI=1S/C14H20N4S/c1-12(13-8-4-5-9-15-13)16-17-14(19)18-10-6-2-3-7-11-18/h4-5,8-9H,2-3,6-7,10-11H2,1H3,(H,17,19)/b16-12+ |
|---|
| Inchi Key | LYIUREYWAKPINL-FOWTUZBSSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 78.0 |
|---|
| Bioactivities | 190.0 |
|---|
| Np Likeness Score | -1.77 |
|---|
| Records Key | ['5a', '1, Haphmtsc', '14', 'SID456608', 'SID131404674'] |
|---|
| Records Name | [N'-[(1E)-1-pyridin-2-ylethylidene]azepane-1-carbothiohydrazide", '2-acetylpyridinehexamethyleneimine-thiosemicarbazone', 'Azepane-1-carbothioic acid (1-pyridin-2-yl-ethylidene)-hydrazide', 'SID456608', 'SID131404674']" |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
