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Harnessing RIBOnucleic acid - Small molecules Structures

Compound UG1

Identifiers

  • Canonical SMILES:
    NC(=O)c1ncn(c2ccncc2)c1N
  • IUPAC name:
    5-amino-1-(pyridin-4-yl)-1H-imidazole-4-carboxamide
  • InChi:
    InChI=1S/C9H9N5O/c10-8-7(9(11)15)13-5-14(8)6-1-3-12-4-2-6/h1-5H,10H2,(H2,11,15)
  • InChiKey:
    JYYYJULWGCNUJZ-UHFFFAOYSA-N
  • SMARTS:
    [#7]-[#6](=[#8])-[#6]1:[#7]:[#6]:[#7](-[#6]2:[#6]:[#6]:[#7]:[#6]:[#6]:2):[#6]:1-[#7]

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

RNA-SM complexes

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 203.08 g/mol
HBA 4
HBD 2
HBA + HBD
AlogP -0.05
TPSA 99.82
RB 2

Radar chart