Compound 1FZ
Identifiers
- Canonical SMILES:
CC1=CN([C@H]2C[C@H](O)[C@@H](CO[P](O)(=O)N[P](O)(=O)O[P](O)(O)=O)O2)C(=O)NC1=O
- IUPAC name:
5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]thymidine - InChi:
InChI=1S/C10H18N3O13P3/c1-5-3-13(10(16)11-9(5)15)8-2-6(14)7(25-8)4-24-27(17,18)12-28(19,20)26-29(21,22)23/h3,6-8,14H,2,4H2,1H3,(H,11,15,16)(H2,21,22,23)(H3,12,17,18,19,20)/t6-,7+,8+/m0/s1
- InChiKey:
YRKUYVYMPXAOAT-XLPZGREQSA-N
Chemistry rules
| Lipinski's RO5 | Veber | Pfizer's 3/75 |
|---|---|---|
External links
454113
RNA-SM complexes
| PDB code | Deposition date | Reference publication |
|---|---|---|
| 9q10 | Aug. 13, 2025 | |
| 9q11 | Aug. 13, 2025 |
Physicochemical filters
| Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
|---|---|---|---|---|
| Compliance | ||||
| MW | 481.18 g/mol | |||
| HBA | not available | |||
| HBD | not available | |||
| HBA + HBD | ||||
| AlogP | not available | |||
| TPSA | not available | |||
| RB | not available |