Bioactive Compound Details
| BioID | bio1671 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL554631 |
| Molecular Formula | C26H40ClN5 |
| Molecular Weight | 458.09 |
| Molecular Weight (Monoisotopic) | 422.3278 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Epi-Agelasine C |
| Smiles | C/C(=C\C[n+]1cn(C)c2ncnc(N)c21)CC[C@@]1(C)C2=CCCC(C)(C)[C@@H]2CC[C@@H]1C.[Cl-] |
| Inchi | InChI=1S/C26H40N5.ClH/c1-18(12-15-31-17-30(6)24-22(31)23(27)28-16-29-24)11-14-26(5)19(2)9-10-20-21(26)8-7-13-25(20,3)4;/h8,12,16-17,19-20H,7,9-11,13-15H2,1-6H3,(H2,27,28,29);1H/q+1;/p-1/b18-12+;/t19-,20+,26+;/m0./s1 |
| Inchi Key | SUMZWYHGRZRMBQ-YIQWSMIASA-M |
| Molecular Species | NEUTRAL |
| Targets | 9.0 |
| Bioactivities | 10.0 |
| Np Likeness Score | 2.57 |
| Records Key | ['1'] |
| Records Name | ['epi-agelasine C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
