Bioactive Compound Details
| BioID | bio729 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL408340 |
| Molecular Formula | C17H22Cl3N3O3S |
| Molecular Weight | 454.81 |
| Molecular Weight (Monoisotopic) | 453.0447 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | C-6131645 |
| Smiles | CCCCOC(=O)c1ccc(NC(=S)NC(NC(=O)CC)C(Cl)(Cl)Cl)cc1 |
| Inchi | InChI=1S/C17H22Cl3N3O3S/c1-3-5-10-26-14(25)11-6-8-12(9-7-11)21-16(27)23-15(17(18,19)20)22-13(24)4-2/h6-9,15H,3-5,10H2,1-2H3,(H,22,24)(H2,21,23,27) |
| Inchi Key | ZPFFIZNWSMITIX-UHFFFAOYSA-N |
| Molecular Species | NEUTRAL |
| Targets | 1.0 |
| Bioactivities | 1.0 |
| Np Likeness Score | -1.3 |
| Records Key | ['6, C-6131645'] |
| Records Name | ['butyl 4-(3-(2,2,2-trichloro-1-propionamidoethyl)thioureido)benzoate'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
