Bioactive Compound Details
| BioID | bio1009 |
|---|---|
| Name | GRASSYSTATIN C |
| ChEMBL ID | CHEMBL569445 |
| Molecular Formula | C50H82N8O12 |
| Molecular Weight | 987.25 |
| Molecular Weight (Monoisotopic) | 986.6052 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Grassystatin C |
| Smiles | CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](O)[C@@H](C)CC)C(=O)NCC(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)OC |
| Inchi | InChI=1S/C50H82N8O12/c1-12-31(7)43(46(65)52-28-42(62)56(9)38(26-33-18-15-14-16-19-33)49(68)58-23-17-20-37(58)50(69)70-11)55-41(61)27-39(59)34(24-29(3)4)53-45(64)36(21-22-40(51)60)57(10)48(67)35(25-30(5)6)54-47(66)44(63)32(8)13-2/h14-16,18-19,29-32,34-39,43-44,59,63H,12-13,17,20-28H2,1-11H3,(H2,51,60)(H,52,65)(H,53,64)(H,54,66)(H,55,61)/t31-,32-,34-,35-,36-,37-,38+,39-,43-,44+/m0/s1 |
| Inchi Key | CRTPOZWNLFMWPB-YQGVOMCUSA-N |
| Molecular Species | NEUTRAL |
| Targets | 6.0 |
| Bioactivities | 6.0 |
| Np Likeness Score | 0.13 |
| Records Key | ['3'] |
| Records Name | ['Grassystatin C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
