| BioID | bio198705 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL223250 |
|---|
| Molecular Formula | C10H14N4S |
|---|
| Molecular Weight | 222.32 |
|---|
| Molecular Weight (Monoisotopic) | 222.0939 |
|---|
| Type | Small molecule |
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| Max Phase | -- |
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| Target ID | Tar81 |
|---|
| Target Name | None |
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| Synonyms | 2-Acetylpyridine N,N-Dimethylthiosemicarbazone |
|---|
| Smiles | C/C(=N\NC(=S)N(C)C)c1ccccn1 |
|---|
| Inchi | InChI=1S/C10H14N4S/c1-8(9-6-4-5-7-11-9)12-13-10(15)14(2)3/h4-7H,1-3H3,(H,13,15)/b12-8+ |
|---|
| Inchi Key | ZMZIYBQONAEPNV-XYOKQWHBSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 72.0 |
|---|
| Bioactivities | 85.0 |
|---|
| Np Likeness Score | -2.01 |
|---|
| Records Key | ['2a', 'SID456840', 'HAp44mT', '1', '28', 'A1'] |
|---|
| Records Name | ['(1E)-1-pyridin-2-ylethan-1-one N,N-dimethylthiosemicarbazone', 'SID456840', '2-acetylpyridine4,4-dimethyl-3-thiosemicarbazone', '2-acetylpyridine N,N-dimethylthiosemicarbazone', 4-(1-pyridin-2-yl ethylene) N',N''-dimethyl thiosemicarbazone", '(E)-N,N-Dimethyl-2-(1-(pyridin-2-yl)ethylidene)hydrazine-1-carbothioamide']" |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
