| BioID | bio199976 |
|---|
| Name | (2S)-ISOPROPYL 2-(((2R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-FLUORO-2,5-DIHYDROFURAN-2-YLOXY)(PHENOXY)PHOSPHORYLAMINO)PROPANOATE (ENANTIOMERIC MIX) |
|---|
| ChEMBL ID | CHEMBL1094447 |
|---|
| Molecular Formula | C22H26FN6O6P |
|---|
| Molecular Weight | 520.46 |
|---|
| Molecular Weight (Monoisotopic) | 520.1635 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | None |
|---|
| Smiles | CC(C)OC(=O)[C@H](C)NP(=O)(CO[C@@H]1C=C(F)[C@H](n2cnc3c(N)ncnc32)O1)Oc1ccccc1 |
|---|
| Inchi | InChI=1S/C22H26FN6O6P/c1-13(2)33-22(30)14(3)28-36(31,35-15-7-5-4-6-8-15)12-32-17-9-16(23)21(34-17)29-11-27-18-19(24)25-10-26-20(18)29/h4-11,13-14,17,21H,12H2,1-3H3,(H,28,31)(H2,24,25,26)/t14-,17-,21+,36?/m0/s1 |
|---|
| Inchi Key | LSLRNDWSSLCLQS-MLZDNLSNSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 8.0 |
|---|
| Bioactivities | 16.0 |
|---|
| Np Likeness Score | -0.18 |
|---|
| Records Key | ['24, second elutent', '18s'] |
|---|
| Records Name | ['(2S)-isopropyl 2-(((2R,5R)-5-(6-amino-9H-purin-9-yl)-4-fluoro-2,5-dihydrofuran-2-yloxy)(phenoxy)phosphorylamino)propanoate', '(2S)-isopropyl 2-((((2R,5R)-5-(6-amino-9H-purin-9-yl)-4-fluoro-2,5-dihydrofuran-2-yloxy)methyl)(phenoxy)phosphorylamino)propanoate'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
