Bioactive Compound Details
| BioID | bio694 |
|---|---|
| Name | RITTERAZINE C |
| ChEMBL ID | CHEMBL415137 |
| Molecular Formula | C54H78N2O9 |
| Molecular Weight | 899.22 |
| Molecular Weight (Monoisotopic) | 898.5707 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Ritterazine C |
| Smiles | C[C@@H]1[C@@]2(CC[C@@](C)(CO)O2)O[C@H]2C=C3[C@@H]4[C@@H](O)C[C@H]5Cc6nc7c(nc6C[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C)[C@]21O)C[C@@H]1CC[C@H]2[C@H]3C[C@@H]4O[C@]5(CCC(C)(C)O5)[C@@H](C)[C@@H]4[C@@]3(C)[C@H](O)C[C@@H]2[C@@]1(C)C7 |
| Inchi | InChI=1S/C54H78N2O9/c1-26-45-40(62-52(26)14-12-46(3,4)64-52)19-32-30-11-10-28-16-35-37(23-48(28,6)31(30)20-41(59)50(32,45)8)56-36-17-29-18-39(58)44-33(49(29,7)24-38(36)55-35)21-42(60)51(9)34(44)22-43-54(51,61)27(2)53(63-43)15-13-47(5,25-57)65-53/h22,26-33,39-45,57-61H,10-21,23-25H2,1-9H3/t26-,27+,28-,29+,30+,31-,32+,33-,39-,40-,41+,42+,43-,44+,45-,47-,48-,49-,50+,51+,52-,53-,54+/m0/s1 |
| Inchi Key | WYFPLVWQFAJCKF-JIOJAGSASA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | 2.24 |
| Records Key | ['22'] |
| Records Name | ['ritterazine C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
