| BioID | bio2516 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL1201847 |
|---|
| Molecular Formula | C32H50N2S2 |
|---|
| Molecular Weight | 526.9 |
|---|
| Molecular Weight (Monoisotopic) | 526.3415 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | 9-Thiocyanatopupukeanane |
|---|
| Smiles | CC(C)[C@@H]1C[C@]2(C)C[C@]3(C)C[C@H]1[C@H]2C[C@@H]3SC#N.CC(C)[C@@H]1C[C@]2(C)C[C@]3(C)C[C@H]1[C@H]2C[C@H]3SC#N |
|---|
| Inchi | InChI=1S/2C16H25NS/c2*1-10(2)11-6-15(3)8-16(4)7-12(11)13(15)5-14(16)18-9-17/h2*10-14H,5-8H2,1-4H3/t11-,12+,13+,14+,15+,16-;11-,12+,13+,14-,15+,16-/m00/s1 |
|---|
| Inchi Key | FIJZCCQYIQNUNF-TVABRYNGSA-N |
|---|
| Molecular Species | None |
|---|
| Targets | 3.0 |
|---|
| Bioactivities | 5.0 |
|---|
| Np Likeness Score | None |
|---|
| Records Key | ['1 and 2, (9S;50:9R;50)', '1 and 2, (9S;30:9R;70)'] |
|---|
| Records Name | ['9-thiocyanatopupukeanane', '9-thiocyanatopupukeanane'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
