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Harnessing RIBOnucleic acid - Small molecules Structures

Compound URI

Identifiers

  • Canonical SMILES:
    OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=CC(=O)NC2=O
  • IUPAC name:
    uridine
  • InChi:
    InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1
  • InChiKey:
    DRTQHJPVMGBUCF-XVFCMESISA-N
  • SMARTS:
    [#8]-[#6]-[#6@H]1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8])-[#7]1:[#6]:[#6]:[#6](=[#8]):[#7]:[#6]:1=[#8]

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 244.07 g/mol
HBA 6
HBD 4
HBA + HBD
AlogP -2.85
TPSA 124.78
RB 2

Radar chart