Compound OXG
Identifiers
- Canonical SMILES:
NC1=NC2=NC(=O)N=C2C(=O)N1
- IUPAC name:
2-amino-1H-purine-6,8-dione
- InChi:
InChI=1S/C5H3N5O2/c6-4-8-2-1(3(11)10-4)7-5(12)9-2/h(H3,6,8,9,10,11,12)
- InChiKey:
UBKVUFQGVWHZIR-UHFFFAOYSA-N
Chemistry rules
| Lipinski's RO5 | Veber | Pfizer's 3/75 |
|---|---|---|
External links
5289088
RNA-SM complexes
| PDB code | Deposition date | Reference publication |
|---|---|---|
| 9nbc | Feb. 13, 2025 | |
| 9ndd | Feb. 18, 2025 | |
| 9ndd | Feb. 18, 2025 | |
| 9ndd | Feb. 18, 2025 | |
| 9ndd | Feb. 18, 2025 | |
| 9v4z | May 24, 2025 | Li Hongcheng, Shen Xin, Xu Xiaochen, Tai Xiaoqing, He Mengqi, Zhang Jinzhu, Ren Aiming. . Ligand specificity and adaptability revealed by the first Guanine-II riboswitch tertiary structure Nucleic Acids Research |
Physicochemical filters
| Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
|---|---|---|---|---|
| Compliance | ||||
| MW | 165.03 g/mol | |||
| HBA | 4 | |||
| HBD | 2 | |||
| HBA + HBD | ||||
| AlogP | -2.28 | |||
| TPSA | 113.56 | |||
| RB | 0 |