Bioactive Compound Details
| BioID | bio1591 |
|---|---|
| Name | SCUTIANINE C |
| ChEMBL ID | CHEMBL560565 |
| Molecular Formula | C31H42N4O4 |
| Molecular Weight | 534.7 |
| Molecular Weight (Monoisotopic) | 534.3206 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Scutianine C |
| Smiles | CC[C@H](C)[C@@H](C(=O)N[C@@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)N/C=C\c2ccc(cc2)O[C@@H]1C(C)C)N(C)C |
| Inchi | InChI=1S/C31H42N4O4/c1-7-21(4)27(35(5)6)31(38)34-26-28(20(2)3)39-24-15-13-22(14-16-24)17-18-32-29(36)25(33-30(26)37)19-23-11-9-8-10-12-23/h8-18,20-21,25-28H,7,19H2,1-6H3,(H,32,36)(H,33,37)(H,34,38)/b18-17-/t21-,25-,26-,27-,28+/m0/s1 |
| Inchi Key | PFSHVBJLBKINQV-HEPVXVMXSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 8.0 |
| Np Likeness Score | 1.84 |
| Records Key | ['4'] |
| Records Name | ['scutianine C'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
