| BioID | bio2394 |
|---|
| Name | CYCLAPOLIN 9 |
|---|
| ChEMBL ID | CHEMBL476124 |
|---|
| Molecular Formula | C9H4F3N3O4S |
|---|
| Molecular Weight | 307.21 |
|---|
| Molecular Weight (Monoisotopic) | 306.9875 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | Cyclapolin 9 |
|---|
| Smiles | NC(=O)c1sc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[n+]1[O-] |
|---|
| Inchi | InChI=1S/C9H4F3N3O4S/c10-9(11,12)3-1-4-6(5(2-3)15(18)19)20-8(7(13)16)14(4)17/h1-2H,(H2,13,16) |
|---|
| Inchi Key | FHFLXKUKCSDMLD-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 38.0 |
|---|
| Bioactivities | 46.0 |
|---|
| Np Likeness Score | -1.0 |
|---|
| Records Key | ['cyclapolin 9', '33', '46'] |
|---|
| Records Name | ['cyclapolin 9', '7-Nitro-3-oxy-5-trifluoromethyl-benzothiazole-2-carboxylic acid amide', '2-Carbamoyl-7-nitro-5-(trifluoromethyl)benzo[d]thiazole 3-oxide'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
