Bioactive Compound Details
| BioID | bio174 |
|---|---|
| Name | ANSACARBAMITOCIN C |
| ChEMBL ID | CHEMBL401299 |
| Molecular Formula | C36H49ClN4O15 |
| Molecular Weight | 813.25 |
| Molecular Weight (Monoisotopic) | 812.2883 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Ansacarbamitocin C |
| Smiles | CNC(=O)O[C@H]1CC(=O)N([C@H]2O[C@@H](CO)[C@H](OC(N)=O)[C@@H](OC)[C@@H]2O)c2cc(cc(O)c2Cl)C/C(C)=C/C=C/[C@@H](OC)[C@@]2(O)C[C@H](OC(=O)N2)[C@@H](C)[C@H]2O[C@@]12C |
| Inchi | InChI=1S/C36H49ClN4O15/c1-16-8-7-9-23(50-5)36(49)14-21(53-34(48)40-36)17(2)30-35(3,56-30)24(54-33(47)39-4)13-25(44)41(19-11-18(10-16)12-20(43)26(19)37)31-27(45)29(51-6)28(55-32(38)46)22(15-42)52-31/h7-9,11-12,17,21-24,27-31,42-43,45,49H,10,13-15H2,1-6H3,(H2,38,46)(H,39,47)(H,40,48)/b9-7+,16-8+/t17-,21+,22+,23-,24+,27+,28+,29+,30-,31+,35+,36+/m1/s1 |
| Inchi Key | DSBWLIOTAPEUNX-ODROUTLLSA-N |
| Molecular Species | NEUTRAL |
| Targets | 2.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | 2.52 |
| Records Key | ['3'] |
| Records Name | ['ansacarbamitocin C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
