Bioactive Compound Details
| BioID | bio1070 |
|---|---|
| Name | THIAZOMYCIN C |
| ChEMBL ID | CHEMBL501954 |
| Molecular Formula | C58H57N13O16S5 |
| Molecular Weight | 1352.5 |
| Molecular Weight (Monoisotopic) | 1351.265 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Nocathiacin V|Thiazomycin C |
| Smiles | CO/C(C)=C1/NC(=O)[C@H]([C@@H](C)O)NC(=O)c2csc(n2)-c2cc(O)c(-c3nc(C(N)=O)cs3)nc2-c2csc(n2)[C@@H]2COC(=O)c3[nH]c4cccc5c4c3CO[C@H]([C@H](O[C@H]3C[C@](C)(O)[C@H](N(C)C)[C@H](C)O3)C(=O)OC5)[C@H](NC(=O)c3csc1n3)c1nc(cs1)C(=O)N2 |
| Inchi | InChI=1S/C58H57N13O16S5/c1-21(72)37-50(78)69-38(22(2)82-7)53-65-33(20-91-53)49(77)70-42-43-44(87-35-12-58(4,81)45(71(5)6)23(3)86-35)57(80)84-13-24-9-8-10-27-36(24)26(14-83-43)40(60-27)56(79)85-15-28(61-47(75)31-19-92-55(42)66-31)52-62-29(16-89-52)39-25(51-64-32(18-88-51)48(76)68-37)11-34(73)41(67-39)54-63-30(17-90-54)46(59)74/h8-11,16-21,23,28,35,37,42-45,60,72-73,81H,12-15H2,1-7H3,(H2,59,74)(H,61,75)(H,68,76)(H,69,78)(H,70,77)/b38-22+/t21-,23+,28+,35+,37+,42+,43+,44+,45-,58+/m1/s1 |
| Inchi Key | HRIFYBRRXQXAKA-TUVVMWSLSA-N |
| Molecular Species | None |
| Targets | 8.0 |
| Bioactivities | 20.0 |
| Np Likeness Score | None |
| Records Key | ['9', '5'] |
| Records Name | ['Thiazomycin C', 'Nocathiacin V'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
