Compound 2DA
Identifiers
- Canonical SMILES:
Nc1ncnc2n(cnc12)[C@H]3CC[C@@H](CO[P](O)(O)=O)O3
- IUPAC name:
[(2S,5R)-5-(6-amino-9H-purin-9-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
- InChi:
InChI=1S/C10H14N5O5P/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(20-7)3-19-21(16,17)18/h4-7H,1-3H2,(H2,11,12,13)(H2,16,17,18)/t6-,7+/m0/s1
- InChiKey:
PUSXDQXVJDGIBK-NKWVEPMBSA-N
Chemistry rules
| Lipinski's RO5 | Veber | Pfizer's 3/75 |
|---|---|---|
External links
65356
CHEMBL1162296
RNA-SM complexes
| PDB code | Deposition date | Reference publication |
|---|---|---|
| 6uu9 | 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 | 315.22 g/mol | |||
| HBA | not available | |||
| HBD | not available | |||
| HBA + HBD | ||||
| AlogP | not available | |||
| TPSA | not available | |||
| RB | not available |