Bioactive Compound Details
| BioID | bio197975 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL506561 |
| Molecular Formula | C41H48N4O12P2 |
| Molecular Weight | 850.8 |
| Molecular Weight (Monoisotopic) | 850.2744 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2'-Deoxyzebularine 3',5'-Bis[Naphthyl(Ethoxydimethylglycinyl)]Phosphate|3',5'-Bis[Naphthyloxy(Ethyloxydimethylglycinyl)]Phosphoramidate |
| Smiles | CCOC(=O)C(C)(C)NP(=O)(OC[C@H]1O[C@@H](n2cccnc2=O)C[C@@H]1OP(=O)(NC(C)(C)C(=O)OCC)Oc1cccc2ccccc12)Oc1cccc2ccccc12 |
| Inchi | InChI=1S/C41H48N4O12P2/c1-7-51-37(46)40(3,4)43-58(49,55-32-22-13-18-28-16-9-11-20-30(28)32)53-27-35-34(26-36(54-35)45-25-15-24-42-39(45)48)57-59(50,44-41(5,6)38(47)52-8-2)56-33-23-14-19-29-17-10-12-21-31(29)33/h9-25,34-36H,7-8,26-27H2,1-6H3,(H,43,49)(H,44,50)/t34-,35+,36+,58?,59?/m0/s1 |
| Inchi Key | RNQNYIOKNKMDCD-DHSRDTRDSA-N |
| Molecular Species | NEUTRAL |
| Targets | 3.0 |
| Bioactivities | 35.0 |
| Np Likeness Score | -0.07 |
| Records Key | ['7b', 7b', diastereomer"]" |
| Records Name | [2'-Deoxyzebularine 3',5'-Bis[naphthyl(ethoxydimethylglycinyl)]phosphate", "3',5'-bis[naphthyloxy(ethyloxydimethylglycinyl)]phosphoramidate"]" |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
