| BioID | bio2545 |
|---|
| Name | ROCASTINE HYDROCHLORIDE |
|---|
| ChEMBL ID | CHEMBL3989467 |
|---|
| Molecular Formula | C13H22ClN3O2S |
|---|
| Molecular Weight | 319.86 |
|---|
| Molecular Weight (Monoisotopic) | 265.1249 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Unknown |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | AHR-11325-D|AHR-11325D|ROCASTINE HYDROCHLORIDE |
|---|
| Smiles | CN(C)CCC1CN(C)C(=S)c2cccnc2O1.Cl.O |
|---|
| Inchi | InChI=1S/C13H19N3OS.ClH.H2O/c1-15(2)8-6-10-9-16(3)13(18)11-5-4-7-14-12(11)17-10;;/h4-5,7,10H,6,8-9H2,1-3H3;1H;1H2 |
|---|
| Inchi Key | YVJKBELCLVQXCN-UHFFFAOYSA-N |
|---|
| Molecular Species | BASE |
|---|
| Targets | None |
|---|
| Bioactivities | None |
|---|
| Np Likeness Score | -0.85 |
|---|
| Records Key | ['ROCASTINE HYDROCHLORIDE'] |
|---|
| Records Name | ['ROCASTINE HYDROCHLORIDE'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
