Bioactive Compound Details
| BioID | bio198965 |
|---|---|
| Name | AEROPHOBIN 2 |
| ChEMBL ID | CHEMBL518701 |
| Molecular Formula | C16H19Br2N5O4 |
| Molecular Weight | 505.17 |
| Molecular Weight (Monoisotopic) | 502.9804 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | Aerophobin 2 |
| Smiles | COC1=C(Br)[C@H](O)[C@@]2(C=C1Br)CC(C(=O)NCCCc1cnc(N)[nH]1)=NO2 |
| Inchi | InChI=1S/C16H19Br2N5O4/c1-26-12-9(17)5-16(13(24)11(12)18)6-10(23-27-16)14(25)20-4-2-3-8-7-21-15(19)22-8/h5,7,13,24H,2-4,6H2,1H3,(H,20,25)(H3,19,21,22)/t13-,16+/m0/s1 |
| Inchi Key | ZSZRBAQVYFYMTR-XJKSGUPXSA-N |
| Molecular Species | BASE |
| Targets | 5.0 |
| Bioactivities | 5.0 |
| Np Likeness Score | 1.81 |
| Records Key | ['6', '3'] |
| Records Name | ['aerophobin 2', 'Aerophobin 2'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
