Compound 8AN
Identifiers
- Canonical SMILES:
N[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)n2cnc3c(N)ncnc23
- IUPAC name:
3'-amino-3'-deoxyadenosine 5'-(dihydrogen phosphate)
- InChi:
InChI=1S/C10H15N6O6P/c11-5-4(1-21-23(18,19)20)22-10(7(5)17)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17H,1,11H2,(H2,12,13,14)(H2,18,19,20)/t4-,5-,7-,10-/m1/s1
- InChiKey:
WIVGZDLLXCRANL-QYYRPYCUSA-N
- SMARTS:
[#7]-[#6@H]1-[#6@@H](-[#8])-[#6@@H](-[#8]-[#6@@H]-1-[#6]-[#8]-[#15](-[#8])(-[#8])=[#8])-[#7]1:[#6]:[#7]:[#6]2:[#6](-[#7]):[#7]:[#6]:[#7]:[#6]:1:2
Chemistry rules
| Lipinski's RO5 | Veber | Pfizer's 3/75 |
|---|---|---|
External links
46173764
8AN
RNA-SM complexes
| PDB code | Deposition date | Reference publication |
|---|---|---|
| 5aa0 | July 23, 2015 | Kumar Veerendra, Chen Yun, Ero Rya, Ahmed Tofayel, Tan Jackie, Li Zhe, Wong Andrew See Weng, Bhushan Shashi, Gao Yong-Gui. 2015. Structure of BipA in GTP form bound to the ratcheted ribosome Proceedings of the National Academy of Sciences |
Physicochemical filters
| Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
|---|---|---|---|---|
| Compliance | ||||
| MW | 346.08 g/mol | |||
| HBA | 9 | |||
| HBD | 5 | |||
| HBA + HBD | ||||
| AlogP | -1.90 | |||
| TPSA | 191.86 | |||
| RB | 4 |