Bioactive Compound Details
| BioID | bio748 |
|---|---|
| Name | MOLLAMIDE C |
| ChEMBL ID | CHEMBL504732 |
| Molecular Formula | C30H46N6O6S |
| Molecular Weight | 618.8 |
| Molecular Weight (Monoisotopic) | 618.32 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Mollamide C |
| Smiles | C=CC(C)(C)OC[C@@H]1NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@H](C)CC)NC(=O)c2csc(n2)[C@H](CC(C)C)NC1=O |
| Inchi | InChI=1S/C30H46N6O6S/c1-8-18(5)24-29(41)36-12-10-11-22(36)27(40)31-14-23(37)32-20(15-42-30(6,7)9-2)25(38)33-19(13-17(3)4)28-34-21(16-43-28)26(39)35-24/h9,16-20,22,24H,2,8,10-15H2,1,3-7H3,(H,31,40)(H,32,37)(H,33,38)(H,35,39)/t18-,19+,20+,22+,24+/m1/s1 |
| Inchi Key | XUWMKNIBSBACMR-ZFJRXVOLSA-N |
| Molecular Species | NEUTRAL |
| Targets | 4.0 |
| Bioactivities | 6.0 |
| Np Likeness Score | 1.44 |
| Records Key | ['2'] |
| Records Name | ['mollamide C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
