| BioID | bio199588 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL56766 |
|---|
| Molecular Formula | C12H15NO4S3 |
|---|
| Molecular Weight | 333.46 |
|---|
| Molecular Weight (Monoisotopic) | 333.0163 |
|---|
| Type | Small molecule |
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| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | 2-({[(Diethylamino)Carbonothioyl]Thio}Sulfonyl)Benzoic Acid |
|---|
| Smiles | CCN(CC)C(=S)SS(=O)(=O)c1ccccc1C(=O)O |
|---|
| Inchi | InChI=1S/C12H15NO4S3/c1-3-13(4-2)12(18)19-20(16,17)10-8-6-5-7-9(10)11(14)15/h5-8H,3-4H2,1-2H3,(H,14,15) |
|---|
| Inchi Key | VTOARZRCEHQXJY-UHFFFAOYSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 60.0 |
|---|
| Bioactivities | 109.0 |
|---|
| Np Likeness Score | -1.05 |
|---|
| Records Key | ['SID526222', '10r'] |
|---|
| Records Name | ['SID526222', '2-({[(diethylamino)carbonothioyl]thio}sulfonyl)benzoic acid'] |
|---|
| Withdrawn Flag | False |
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| Orphan | -1 |
|---|
