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Harnessing RIBOnucleic acid - Small molecules Structures

Compound 0G

Identifiers

  • Canonical SMILES:
    NC1=Nc2n(cnc2C(=O)N1)[C@H]3O[C@@H](CO[P](O)(O)=O)[C@H](O)[C@@H]3O
  • IUPAC name:
    2-amino-9-(5-O-phosphono-beta-L-ribofuranosyl)-1,9-dihydro-6H-purin-6-one
  • InChi:
    InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m0/s1
  • InChiKey:
    RQFCJASXJCIDSX-GIMIYPNGSA-N
  • SMARTS:
    [#7]-[#6]1:[#7]:[#6]2:[#7](:[#6]:[#7]:[#6]:2:[#6](=[#8]):[#7]:1)-[#6@H]1-[#8]-[#6@@H](-[#6]-[#8]-[#15](-[#8])(-[#8])=[#8])-[#6@H](-[#8])-[#6@@H]-1-[#8]

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

RNA-SM complexes

PDB code Deposition date Reference publication
36lc June 16, 2026 No publication
36lc June 16, 2026 No publication
36lc June 16, 2026 No publication
36lc June 16, 2026 No publication

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 363.06 g/mol
HBA 9
HBD 6
HBA + HBD
AlogP -2.57
TPSA 206.04
RB 4

Radar chart