Bioactive Compound Details
| BioID | bio1145 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL1783836 |
| Molecular Formula | C34H44N4O7S |
| Molecular Weight | 652.81 |
| Molecular Weight (Monoisotopic) | 652.2931 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | 22-(3-Azidobenzoyloxy)Methyl Epothilone C |
| Smiles | C/C(=C\c1csc(C)n1)[C@@H]1C/C=C\CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)[C@](C)(CCOC(=O)c2cccc(N=[N+]=[N-])c2)[C@@H](O)CC(=O)O1 |
| Inchi | InChI=1S/C34H44N4O7S/c1-21-11-8-6-7-9-14-28(22(2)17-27-20-46-24(4)36-27)45-30(40)19-29(39)34(5,32(42)23(3)31(21)41)15-16-44-33(43)25-12-10-13-26(18-25)37-38-35/h7,9-10,12-13,17-18,20-21,23,28-29,31,39,41H,6,8,11,14-16,19H2,1-5H3/b9-7-,22-17+/t21-,23+,28-,29-,31-,34+/m0/s1 |
| Inchi Key | SHRFFPKUMQQSNY-LPEJDEDJSA-N |
| Molecular Species | NEUTRAL |
| Targets | 3.0 |
| Bioactivities | 7.0 |
| Np Likeness Score | 1.09 |
| Records Key | ['3'] |
| Records Name | ['22-(3-azidobenzoyloxy)methyl epothilone C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
