Compound NPR
Identifiers
- Canonical SMILES:
NC1=NC(=O)C2=C(NCC(=N2)[C@H](O)[C@@H](O)CO)N1
- IUPAC name:
2-amino-6-[(1S,2S)-1,2,3-trihydroxypropyl]-7,8-dihydropteridin-4(1H)-one
- InChi:
InChI=1S/C9H13N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h4,6,15-17H,1-2H2,(H4,10,11,13,14,18)/t4-,6-/m0/s1
- InChiKey:
YQIFAMYNGGOTFB-NJGYIYPDSA-N
Chemistry rules
| Lipinski's RO5 | Veber | Pfizer's 3/75 |
|---|---|---|
External links
45479435
DB04425
RNA-SM complexes
| PDB code | Deposition date | Reference publication |
|---|---|---|
| 7wii | Jan. 3, 2022 | Xu Lilei, Xiao Yu, Zhang Jie, Fang Xianyang. . Structural insights into translation regulation by the THF-II riboswitch Nucleic Acids Research |
Physicochemical filters
| Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
|---|---|---|---|---|
| Compliance | ||||
| MW | 255.10 g/mol | |||
| HBA | 8 | |||
| HBD | 6 | |||
| HBA + HBD | ||||
| AlogP | -2.44 | |||
| TPSA | 156.85 | |||
| RB | 3 |