Bioactive Compound Details
| BioID | bio42 |
|---|---|
| Name | CHETRACIN C |
| ChEMBL ID | CHEMBL2047369 |
| Molecular Formula | C30H28N6O8S6 |
| Molecular Weight | 792.99 |
| Molecular Weight (Monoisotopic) | 792.0293 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Chetracin C |
| Smiles | CN1C(=O)[C@]23SSS[C@@]1(CO)C(=O)N2[C@H]1Nc2ccccc2C1([C@@]12c4ccccc4N[C@@H]1N1C(=O)[C@]4(CO)SSS[C@]1(C(=O)N4C)[C@H]2O)[C@@H]3O |
| Inchi | InChI=1S/C30H28N6O8S6/c1-33-23(43)29-17(39)27(13-7-3-5-9-15(13)31-19(27)35(29)21(41)25(33,11-37)45-49-47-29)28-14-8-4-6-10-16(14)32-20(28)36-22(42)26(12-38)34(2)24(44)30(36,18(28)40)48-50-46-26/h3-10,17-20,31-32,37-40H,11-12H2,1-2H3/t17-,18-,19+,20+,25-,26-,27+,28?,29-,30-/m0/s1 |
| Inchi Key | CZHZTVHMGFRKRJ-LTEJGUQOSA-N |
| Molecular Species | NEUTRAL |
| Targets | 5.0 |
| Bioactivities | 5.0 |
| Np Likeness Score | 1.42 |
| Records Key | ['2'] |
| Records Name | ['Chetracin C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
