Bioactive Compound Details
| BioID | bio198066 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL1802234 |
| Molecular Formula | C23H22ClNO2S |
| Molecular Weight | 411.95 |
| Molecular Weight (Monoisotopic) | 375.1293 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-Phenylthioapomorphine Hydrochloride |
| Smiles | CN1CCc2cc(Sc3ccccc3)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3.Cl |
| Inchi | InChI=1S/C23H21NO2S.ClH/c1-24-10-9-15-11-17(27-16-5-3-2-4-6-16)13-18-21(15)19(24)12-14-7-8-20(25)23(26)22(14)18;/h2-8,11,13,19,25-26H,9-10,12H2,1H3;1H/t19-;/m1./s1 |
| Inchi Key | SHNWMDWBZSVNSQ-FSRHSHDFSA-N |
| Molecular Species | NEUTRAL |
| Targets | 3.0 |
| Bioactivities | 5.0 |
| Np Likeness Score | 0.77 |
| Records Key | ['4d'] |
| Records Name | ['2-Phenylthioapomorphine hydrochloride'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
