Bioactive Compound Details
| BioID | bio1182 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL506048 |
| Molecular Formula | C43H42ClN3O13 |
| Molecular Weight | 844.27 |
| Molecular Weight (Monoisotopic) | 843.2406 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | C-1027 |
| Smiles | C=C1Oc2cc(OC)cc(C(=O)O[C@H]3COC(=O)C[C@H](N)c4cc(O)c(c(Cl)c4)O[C@@H]4C#C/C=C/3C#CC3=CC=C[C@@]34O[C@@H]3OC(C)(C)[C@@H](N(C)C)[C@@H](O)[C@H]3O)c2NC1=O |
| Inchi | InChI=1S/C43H42ClN3O13/c1-21-39(52)46-34-26(17-25(54-6)18-30(34)56-21)40(53)57-31-20-55-33(49)19-28(45)23-15-27(44)37(29(48)16-23)58-32-11-7-9-22(31)12-13-24-10-8-14-43(24,32)60-41-36(51)35(50)38(47(4)5)42(2,3)59-41/h8-10,14-18,28,31-32,35-36,38,41,48,50-51H,1,19-20,45H2,2-6H3,(H,46,52)/b22-9+/t28-,31-,32+,35-,36+,38-,41-,43+/m0/s1 |
| Inchi Key | DGGZCXUXASNDAC-QQNGCVSVSA-N |
| Molecular Species | BASE |
| Targets | 5.0 |
| Bioactivities | 13.0 |
| Np Likeness Score | 1.35 |
| Records Key | ['C-1027'] |
| Records Name | ['C-1027'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
