Bioactive Compound Details
| BioID | bio597 |
|---|---|
| Name | BISNICALATERINE B |
| ChEMBL ID | CHEMBL1778841 |
| Molecular Formula | C39H49N4O2+ |
| Molecular Weight | 605.85 |
| Molecular Weight (Monoisotopic) | 605.385 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Bisnicalaterine B|Bisnicalaterine C |
| Smiles | C/C=C1/C[N@@+]2(C)CCc3c([nH]c4ccc(O)c([C@@H]5C[C@@]6(CC)CCCN7CCc8c(n5c5ccccc85)[C@H]76)c34)[C@H]2C[C@@H]1CCO |
| Inchi | InChI=1S/C39H48N4O2/c1-4-24-23-43(3)19-14-28-34-29(40-36(28)32(43)21-25(24)15-20-44)11-12-33(45)35(34)31-22-39(5-2)16-8-17-41-18-13-27-26-9-6-7-10-30(26)42(31)37(27)38(39)41/h4,6-7,9-12,25,31-32,38,40,44H,5,8,13-23H2,1-3H3/p+1/b24-4-/t25-,31-,32+,38-,39+,43+/m0/s1 |
| Inchi Key | VOTSDECPXOPQEF-RDIXYSTHSA-O |
| Molecular Species | NEUTRAL |
| Targets | 3.0 |
| Bioactivities | 6.0 |
| Np Likeness Score | 1.74 |
| Records Key | ['4', '5'] |
| Records Name | ['bisnicalaterine B', 'Bisnicalaterine C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
