Bioactive Compound Details
| BioID | bio200591 |
|---|---|
| Name | SONROTOCLAX |
| ChEMBL ID | CHEMBL5314951 |
| Molecular Formula | C49H59N7O7S |
| Molecular Weight | 890.12 |
| Molecular Weight (Monoisotopic) | 889.4197 |
| Type | Small molecule |
| Max Phase | Phase 2 |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | BGB 11417|BGB-11417|BGB11417|SONROTOCLAX |
| Smiles | CC(C)c1ccccc1[C@@H]1CCCN1C1CC2(CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC[C@H]5CC[C@](C)(O)CC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)C1 |
| Inchi | InChI=1S/C49H59N7O7S/c1-32(2)39-7-4-5-8-40(39)43-9-6-22-55(43)36-28-49(29-36)19-23-54(24-20-49)35-10-12-41(45(26-35)63-37-25-34-16-21-50-46(34)52-31-37)47(57)53-64(61,62)38-11-13-42(44(27-38)56(59)60)51-30-33-14-17-48(3,58)18-15-33/h4-5,7-8,10-13,16,21,25-27,31-33,36,43,51,58H,6,9,14-15,17-20,22-24,28-30H2,1-3H3,(H,50,52)(H,53,57)/t33-,43-,48-/m0/s1 |
| Inchi Key | ZQTKOYMWCCSKON-XKXNWSITSA-N |
| Molecular Species | ZWITTERION |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -0.6 |
| Records Key | ['SONROTOCLAX', 'SONROTOCLAX'] |
| Records Name | ['SONROTOCLAX', 'SONROTOCLAX'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
