Bioactive Compound Details
| BioID | bio200379 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL202379 |
| Molecular Formula | C25H27ClO5 |
| Molecular Weight | 442.94 |
| Molecular Weight (Monoisotopic) | 442.1547 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2-Chlorobenzoyl-Miliusol |
| Smiles | CC(C)=CCC/C(C)=C/[C@H]1OC(=O)C[C@]12C[C@H](OC(=O)c1ccccc1Cl)C=CC2=O |
| Inchi | InChI=1S/C25H27ClO5/c1-16(2)7-6-8-17(3)13-22-25(15-23(28)31-22)14-18(11-12-21(25)27)30-24(29)19-9-4-5-10-20(19)26/h4-5,7,9-13,18,22H,6,8,14-15H2,1-3H3/b17-13+/t18-,22-,25+/m1/s1 |
| Inchi Key | ULHNDUDLBYHEPP-KBIYZBTBSA-N |
| Molecular Species | NEUTRAL |
| Targets | 5.0 |
| Bioactivities | 5.0 |
| Np Likeness Score | 1.83 |
| Records Key | ['2aw'] |
| Records Name | ['2-Chlorobenzoyl-miliusol'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
