Compound 0G
Identifiers
- Canonical SMILES:
NC1=Nc2n(cnc2C(=O)N1)[C@H]3O[C@@H](CO[P](O)(O)=O)[C@H](O)[C@@H]3O
- IUPAC name:
2-amino-9-(5-O-phosphono-beta-L-ribofuranosyl)-1,9-dihydro-6H-purin-6-one
- InChi:
InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m0/s1
- InChiKey:
RQFCJASXJCIDSX-GIMIYPNGSA-N
- SMARTS:
[#7]-[#6]1:[#7]:[#6]2:[#7](:[#6]:[#7]:[#6]:2:[#6](=[#8]):[#7]:1)-[#6@H]1-[#8]-[#6@@H](-[#6]-[#8]-[#15](-[#8])(-[#8])=[#8])-[#6@H](-[#8])-[#6@@H]-1-[#8]
Chemistry rules
| Lipinski's RO5 | Veber | Pfizer's 3/75 |
|---|---|---|
External links
12310311
RNA-SM complexes
| PDB code | Deposition date | Reference publication |
|---|---|---|
| 36lc | June 16, 2026 | |
| 36lc | June 16, 2026 | |
| 36lc | June 16, 2026 | |
| 36lc | June 16, 2026 |
Physicochemical filters
| Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
|---|---|---|---|---|
| Compliance | ||||
| MW | 363.06 g/mol | |||
| HBA | 9 | |||
| HBD | 6 | |||
| HBA + HBD | ||||
| AlogP | -2.57 | |||
| TPSA | 206.04 | |||
| RB | 4 |