Compound A1ME1
Identifiers
- Canonical SMILES:
C[C@@]1(F)[C@H](O)[C@@H](CO[P@@](S)(=O)O[P](O)(=O)O[P](O)(O)=O)O[C@H]1n2cnc3C(=O)NC(=Nc23)N
- InChi:
InChI=1S/C11H17FN5O12P3S/c1-11(12)6(18)4(2-26-32(25,33)29-31(23,24)28-30(20,21)22)27-9(11)17-3-14-5-7(17)15-10(13)16-8(5)19/h3-4,6,9,18H,2H2,1H3,(H,23,24)(H,25,33)(H2,20,21,22)(H3,13,15,16,19)/t4-,6-,9-,11-,32+/m1/s1
- InChiKey:
FDWXRVZNLSPUFQ-NHMIGAQYSA-N
- SMARTS:
[#6]-[#6@@]1(-[#9])-[#6@H](-[#8])-[#6@@H](-[#6]-[#8]-[#15@@](-[#16])(=[#8])-[#8]-[#15](-[#8])(=[#8])-[#8]-[#15](-[#8])(-[#8])=[#8])-[#8]-[#6@H]-1-[#7]1:[#6]:[#7]:[#6]2:[#6](=[#8]):[#7]:[#6](:[#7]:[#6]:1:2)-[#7]
Chemistry rules
| Lipinski's RO5 | Veber | Pfizer's 3/75 |
|---|---|---|
External links
A1ME1
RNA-SM complexes
| PDB code | Deposition date | Reference publication |
|---|---|---|
| 24ew | March 2, 2026 | No publication |
Physicochemical filters
| Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
|---|---|---|---|---|
| Compliance | ||||
| MW | 554.98 g/mol | |||
| HBA | 12 | |||
| HBD | 7 | |||
| HBA + HBD | ||||
| AlogP | -0.03 | |||
| TPSA | 258.64 | |||
| RB | 8 |