Bioactive Compound Details
| BioID | bio199926 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL552042 |
| Molecular Formula | C17H14Na4O12P2 |
| Molecular Weight | 564.2 |
| Molecular Weight (Monoisotopic) | 476.0273 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | Sodium Stilstatin 1 2',3'-O-Diphosphate |
| Smiles | COc1cc(/C=C\c2ccc(OC)c(OP(=O)([O-])[O-])c2OP(=O)([O-])[O-])cc2c1OCO2.[Na+].[Na+].[Na+].[Na+] |
| Inchi | InChI=1S/C17H18O12P2.4Na/c1-24-12-6-5-11(15(28-30(18,19)20)17(12)29-31(21,22)23)4-3-10-7-13(25-2)16-14(8-10)26-9-27-16;;;;/h3-8H,9H2,1-2H3,(H2,18,19,20)(H2,21,22,23);;;;/q;4*+1/p-4/b4-3-;;;; |
| Inchi Key | LTBWKDQGTFFMFH-PHSMJEINSA-J |
| Molecular Species | ACID |
| Targets | 7.0 |
| Bioactivities | 7.0 |
| Np Likeness Score | 0.88 |
| Records Key | ['19'] |
| Records Name | [Sodium Stilstatin 1 2',3'-O-Diphosphate"]" |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
