HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Compound A0I

Identifiers

  • Canonical SMILES: 
    NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO[P](O)(=O)N[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]2O
  • InChi: 
    InChI=1S/C9H17N4O13P3/c10-5-1-2-13(9(16)11-5)8-7(15)6(14)4(25-8)3-24-27(17,18)12-28(19,20)26-29(21,22)23/h1-2,4,6-8,14-15H,3H2,(H2,10,11,16)(H2,21,22,23)(H3,12,17,18,19,20)/t4-,6-,7-,8-/m1/s1
  • InChiKey: 
    HVZVBWDHTKBLAI-XVFCMESISA-N

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

169489562

RNA-SM complexes

PDB code Deposition date Reference publication
8psx July 13, 2023 Arragain Benoit, Pelosse Martin, Thompson Albert, Cusack Stephen. . Structural and functional analysis of the minimal orthomyxovirus-like polymerase of Tilapia Lake Virus from the highly diverged Amnoonviridae family Nature Communications
8psz July 13, 2023 Arragain Benoit, Pelosse Martin, Thompson Albert, Cusack Stephen. . Structural and functional analysis of the minimal orthomyxovirus-like polymerase of Tilapia Lake Virus from the highly diverged Amnoonviridae family Nature Communications

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 482.00 g/mol
HBA 11
HBD 8
HBA + HBD
AlogP -2.64
TPSA 273.22
RB 8

Radar chart