Bioactive Compound Details
| BioID | bio307 |
|---|---|
| Name | cycloaspeptide C |
| ChEMBL ID | CHEMBL553487 |
| Molecular Formula | C35H41N5O6 |
| Molecular Weight | 627.74 |
| Molecular Weight (Monoisotopic) | 627.3057 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | cycloaspeptide C |
| Smiles | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)c2ccccc2NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C1=O |
| Inchi | InChI=1S/C35H41N5O6/c1-21(2)18-29-35(46)40(4)30(20-24-14-16-25(41)17-15-24)34(45)37-27-13-9-8-12-26(27)32(43)36-22(3)31(42)38-28(33(44)39-29)19-23-10-6-5-7-11-23/h5-17,21-22,28-30,41H,18-20H2,1-4H3,(H,36,43)(H,37,45)(H,38,42)(H,39,44)/t22-,28-,29-,30-/m0/s1 |
| Inchi Key | WBLLMCDBMQQWEY-BJPINVTDSA-N |
| Molecular Species | NEUTRAL |
| Targets | 2.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | 0.94 |
| Records Key | ['4'] |
| Records Name | ['cycloaspeptide C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
