Bioactive Compound Details
| BioID | bio683 |
|---|---|
| Name | FIJIMYCIN C |
| ChEMBL ID | CHEMBL1915714 |
| Molecular Formula | C44H62N8O12 |
| Molecular Weight | 895.02 |
| Molecular Weight (Monoisotopic) | 894.4487 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Fijimycin C |
| Smiles | CC(C)C[C@H]1NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@@H](C)OC(=O)[C@H](c2ccccc2)N(C)C(=O)[C@H](CO)NC(=O)[C@H](C(C)C(C)C)N(C)C(=O)CN(C)C(=O)[C@H]2C[C@@H](O)CN2C1=O |
| Inchi | InChI=1S/C44H62N8O12/c1-23(2)18-29-42(61)52-20-28(54)19-31(52)43(62)49(7)21-33(56)50(8)36(25(5)24(3)4)40(59)47-30(22-53)41(60)51(9)37(27-14-11-10-12-15-27)44(63)64-26(6)34(38(57)46-29)48-39(58)35-32(55)16-13-17-45-35/h10-17,23-26,28-31,34,36-37,53-55H,18-22H2,1-9H3,(H,46,57)(H,47,59)(H,48,58)/t25?,26-,28-,29-,30+,31-,34+,36+,37+/m1/s1 |
| Inchi Key | KDTSWOUKAXSMRA-BSRLCFGTSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | 0.64 |
| Records Key | ['3'] |
| Records Name | ['Fijimycin C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
