HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Compound 8GT

Identifiers

  • Canonical SMILES: 
    NC1=NC2=C(NC(=O)N2[C@@H]3O[C@H](CO[P@](O)(=O)O[P@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O)C(=O)N1
  • IUPAC name: 
    8-oxoguanosine 5'-(tetrahydrogen triphosphate)
  • InChi: 
    InChI=1S/C10H16N5O15P3/c11-9-13-6-3(7(18)14-9)12-10(19)15(6)8-5(17)4(16)2(28-8)1-27-32(23,24)30-33(25,26)29-31(20,21)22/h2,4-5,8,16-17H,1H2,(H,12,19)(H,23,24)(H,25,26)(H2,20,21,22)(H3,11,13,14,18)/t2-,4-,5-,8-/m1/s1
  • InChiKey: 
    JCHLKIQZUXYLPW-UMMCILCDSA-N

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

5287559

RNA-SM complexes

PDB code Deposition date Reference publication
9pvv Aug. 3, 2025 Hou Peini, Lee Chanjoo, Chong Jenny, Oh Juntaek, Wang Dong. . Structural basis of transcription-coupled RNA damage by incorporation of oxidized ribonucleotides Proceedings of the National Academy of Sciences
9pvx Aug. 3, 2025 Hou Peini, Lee Chanjoo, Chong Jenny, Oh Juntaek, Wang Dong. . Structural basis of transcription-coupled RNA damage by incorporation of oxidized ribonucleotides Proceedings of the National Academy of Sciences

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 538.99 g/mol
HBA 13
HBD 9
HBA + HBD
AlogP -3.04
TPSA 319.07
RB 8

Radar chart