Compound A1CWA
Identifiers
- Canonical SMILES:
NC1=Nc2n(cnc2C(=O)N1)[C@H]3C[C@H](O)[C@@H](CO[P](O)(=O)n4ccnc4N)O3
- IUPAC name:
5'-O-[(R)-(2-amino-1H-imidazol-1-yl)(hydroxy)phosphoryl]-2'-deoxyguanosine
- InChi:
InChI=1S/C13H17N8O6P/c14-12-18-10-9(11(23)19-12)17-5-20(10)8-3-6(22)7(27-8)4-26-28(24,25)21-2-1-16-13(21)15/h1-2,5-8,22H,3-4H2,(H2,15,16)(H,24,25)(H3,14,18,19,23)/t6-,7+,8+/m0/s1
- InChiKey:
UDDIXTSYRLRNQW-XLPZGREQSA-N
Chemistry rules
| Lipinski's RO5 | Veber | Pfizer's 3/75 |
|---|---|---|
External links
177693351
RNA-SM complexes
| PDB code | Deposition date | Reference publication |
|---|---|---|
| 9yd4 | Sept. 21, 2025 | |
| 9yd4 | Sept. 21, 2025 |
Physicochemical filters
| Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
|---|---|---|---|---|
| Compliance | ||||
| MW | 412.10 g/mol | |||
| HBA | 10 | |||
| HBD | 5 | |||
| HBA + HBD | ||||
| AlogP | -1.21 | |||
| TPSA | 209.42 | |||
| RB | 5 |