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Harnessing RIBOnucleic acid - Small molecules Structures

Compound LUM

Identifiers

  • Canonical SMILES:
    Cc1cc2nc3NC(=O)NC(=O)c3nc2cc1C
  • IUPAC name:
    7,8-dimethylbenzo[g]pteridine-2,4(1H,3H)-dione
  • InChi:
    InChI=1S/C12H10N4O2/c1-5-3-7-8(4-6(5)2)14-10-9(13-7)11(17)16-12(18)15-10/h3-4H,1-2H3,(H2,14,15,16,17,18)
  • InChiKey:
    ZJTJUVIJVLLGSP-UHFFFAOYSA-N
  • SMARTS:
    [#6]-[#6]1:[#6]:[#6]2:[#7]:[#6]3:[#7]:[#6](=[#8]):[#7]:[#6](=[#8]):[#6]:3:[#7]:[#6]:2:[#6]:[#6]:1-[#6]

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 242.08 g/mol
HBA 4
HBD 2
HBA + HBD
AlogP 0.78
TPSA 91.50
RB 0

Radar chart