Bioactive Compound Details
| BioID | bio1758 |
|---|---|
| Name | CYCLOSQUAMOSIN C |
| ChEMBL ID | CHEMBL1791392 |
| Molecular Formula | C39H65N9O11S |
| Molecular Weight | 868.07 |
| Molecular Weight (Monoisotopic) | 867.4524 |
| Type | Protein |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Cyclosquamosin C |
| Smiles | CC[C@@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCSOC)NC(=O)[C@H](CC(C)C)NC(=O)CN(C)C(=O)[C@H]([C@H](C)O)NC1=O |
| Inchi | InChI=1S/C39H65N9O11S/c1-8-22(4)31-36(55)45-32(23(5)49)39(58)46(6)20-30(51)41-26(19-21(2)3)34(53)42-24(15-18-60-59-7)33(52)43-25(13-14-29(40)50)37(56)48-17-10-12-28(48)38(57)47-16-9-11-27(47)35(54)44-31/h21-28,31-32,49H,8-20H2,1-7H3,(H2,40,50)(H,41,51)(H,42,53)(H,43,52)(H,44,54)(H,45,55)/t22-,23+,24+,25+,26+,27+,28+,31+,32+/m1/s1 |
| Inchi Key | FIFLPXKROTYZFP-XQJMZRAESA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 0.86 |
| Records Key | ['3'] |
| Records Name | ['Cyclosquamosin C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
