Bioactive Compound Details
| BioID | bio200038 |
|---|---|
| Name | FOSTULARIN 2 |
| ChEMBL ID | CHEMBL2332122 |
| Molecular Formula | C22H21Br4N3O8 |
| Molecular Weight | 775.04 |
| Molecular Weight (Monoisotopic) | 770.8062 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | Fostularin 2 |
| Smiles | COC1=C(Br)[C@H](O)[C@@]2(C=C1Br)CC(C(=O)NCC(O)c1cc(Br)c(OC[C@H]3CNC(=O)O3)c(Br)c1)=NO2 |
| Inchi | InChI=1S/C22H21Br4N3O8/c1-34-18-13(25)4-22(19(31)16(18)26)5-14(29-37-22)20(32)27-7-15(30)9-2-11(23)17(12(24)3-9)35-8-10-6-28-21(33)36-10/h2-4,10,15,19,30-31H,5-8H2,1H3,(H,27,32)(H,28,33)/t10-,15?,19+,22-/m1/s1 |
| Inchi Key | WKUSHGVKGFQCSJ-VGDKHQHMSA-N |
| Molecular Species | NEUTRAL |
| Targets | 3.0 |
| Bioactivities | 3.0 |
| Np Likeness Score | 1.61 |
| Records Key | ['4'] |
| Records Name | ['Fostularin 2'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
