Bioactive Compound Details
| BioID | bio197796 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL501862 |
| Molecular Formula | C43H48N4O12P2 |
| Molecular Weight | 874.82 |
| Molecular Weight (Monoisotopic) | 874.2744 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2'-Deoxyzebularine 3',5'-Bis[Phenyl(Benzoxydimethylglycinyl)]Phosphate |
| Smiles | CC(C)(NP(=O)(OC[C@H]1O[C@@H](n2cccnc2=O)C[C@@H]1OP(=O)(NC(C)(C)C(=O)OCc1ccccc1)Oc1ccccc1)Oc1ccccc1)C(=O)OCc1ccccc1 |
| Inchi | InChI=1S/C43H48N4O12P2/c1-42(2,39(48)53-29-32-18-9-5-10-19-32)45-60(51,57-34-22-13-7-14-23-34)55-31-37-36(28-38(56-37)47-27-17-26-44-41(47)50)59-61(52,58-35-24-15-8-16-25-35)46-43(3,4)40(49)54-30-33-20-11-6-12-21-33/h5-27,36-38H,28-31H2,1-4H3,(H,45,51)(H,46,52)/t36-,37+,38+,60?,61?/m0/s1 |
| Inchi Key | ZQERHZYOGVGCGD-DAULEIRWSA-N |
| Molecular Species | NEUTRAL |
| Targets | 3.0 |
| Bioactivities | 11.0 |
| Np Likeness Score | -0.03 |
| Records Key | ['9b'] |
| Records Name | [2'-Deoxyzebularine 3',5'-Bis[phenyl(benzoxydimethylglycinyl)]phosphate"]" |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
