Compound D4M
Identifiers
- Canonical SMILES:
CC1=CN([C@@H]2O[C@H](CO[P](O)(O)=O)C=C2)C(=O)NC1=O
- IUPAC name:
[(2S,5R)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2,5-dihydrofuran-2-yl]methyl dihydrogen phosphate
- InChi:
InChI=1S/C10H13N2O7P/c1-6-4-12(10(14)11-9(6)13)8-3-2-7(19-8)5-18-20(15,16)17/h2-4,7-8H,5H2,1H3,(H,11,13,14)(H2,15,16,17)/t7-,8+/m0/s1
- InChiKey:
XLPGURCDSRIXFL-JGVFFNPUSA-N
Chemistry rules
| Lipinski's RO5 | Veber | Pfizer's 3/75 |
|---|---|---|
External links
461278
CHEMBL403328
DB04672
RNA-SM complexes
| PDB code | Deposition date | Reference publication |
|---|---|---|
| 6uu3 | Oct. 30, 2019 | Zuo Yuhong, De Swastik, Feng Yingang, Steitz Thomas A.. . Structural Insights into Transcription Initiation from De Novo RNA Synthesis to Transitioning into Elongation iScience |
Physicochemical filters
| Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
|---|---|---|---|---|
| Compliance | ||||
| MW | 304.05 g/mol | |||
| HBA | 5 | |||
| HBD | 3 | |||
| HBA + HBD | ||||
| AlogP | -0.59 | |||
| TPSA | 130.85 | |||
| RB | 4 |