Bioactive Compound Details
| BioID | bio83463 |
|---|---|
| Name | ISOMALYNGAMIDE A1 |
| ChEMBL ID | CHEMBL2147271 |
| Molecular Formula | C28H43ClN2O6 |
| Molecular Weight | 539.11 |
| Molecular Weight (Monoisotopic) | 538.281 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar54 |
| Target Name | None |
| Synonyms | Isomalyngamide A1 |
| Smiles | CCCCCCC[C@@H](C/C=C/CCC(=O)N(C)C/C(=C\Cl)CC(=O)CC(=O)N1CC(OC)=CC1=O)OC |
| Inchi | InChI=1S/C28H43ClN2O6/c1-5-6-7-8-10-13-24(36-3)14-11-9-12-15-26(33)30(2)20-22(19-29)16-23(32)17-27(34)31-21-25(37-4)18-28(31)35/h9,11,18-19,24H,5-8,10,12-17,20-21H2,1-4H3/b11-9+,22-19-/t24-/m0/s1 |
| Inchi Key | URNPMZZHBBKTSD-KLIDDKABSA-N |
| Molecular Species | NEUTRAL |
| Targets | 3.0 |
| Bioactivities | 6.0 |
| Np Likeness Score | 1.27 |
| Records Key | ['2'] |
| Records Name | ['isomalyngamide A-1'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
