Bioactive Compound Details
| BioID | bio199176 |
|---|---|
| Name | XENOCOUMACIN 2 |
| ChEMBL ID | CHEMBL522314 |
| Molecular Formula | C21H30N2O6 |
| Molecular Weight | 406.48 |
| Molecular Weight (Monoisotopic) | 406.2104 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | Xenocoumacin 2 |
| Smiles | CC(C)CC(NC(=O)C(O)C(O)C1CCCN1)C1Cc2cccc(O)c2C(=O)O1 |
| Inchi | InChI=1S/C21H30N2O6/c1-11(2)9-14(23-20(27)19(26)18(25)13-6-4-8-22-13)16-10-12-5-3-7-15(24)17(12)21(28)29-16/h3,5,7,11,13-14,16,18-19,22,24-26H,4,6,8-10H2,1-2H3,(H,23,27) |
| Inchi Key | GJFFPZMEAWWELD-UHFFFAOYSA-N |
| Molecular Species | BASE |
| Targets | 21.0 |
| Bioactivities | 26.0 |
| Np Likeness Score | 1.75 |
| Records Key | ['3'] |
| Records Name | ['xenocoumacin 2'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
