Bioactive Compound Details
| BioID | bio199022 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL541697 |
| Molecular Formula | C17H15Na6O15P3 |
| Molecular Weight | 690.15 |
| Molecular Weight (Monoisotopic) | 558.0093 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | Sodium Stilstatin 2 2',3,3'-O-Triphosphate |
| Smiles | COc1cc(/C=C\c2ccc(OC)c(OP(=O)([O-])[O-])c2OP(=O)([O-])[O-])cc(OP(=O)([O-])[O-])c1OC.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+] |
| Inchi | InChI=1S/C17H21O15P3.6Na/c1-27-12-7-6-11(15(31-34(21,22)23)17(12)32-35(24,25)26)5-4-10-8-13(28-2)16(29-3)14(9-10)30-33(18,19)20;;;;;;/h4-9H,1-3H3,(H2,18,19,20)(H2,21,22,23)(H2,24,25,26);;;;;;/q;6*+1/p-6/b5-4-;;;;;; |
| Inchi Key | GAXPGYYITXUAJL-NFJBZXNCSA-H |
| Molecular Species | ACID |
| Targets | 7.0 |
| Bioactivities | 7.0 |
| Np Likeness Score | 0.73 |
| Records Key | ['29'] |
| Records Name | [Sodium Stilstatin 2 2',3,3'-O-Triphosphate"]" |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
