HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Compound S9F

Identifiers

  • Canonical SMILES: 
    NC1=NC(=O)[N-]2=C(N1)N(C=C2)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
  • InChi: 
    InChI=1S/C10H17N5O14P3/c11-8-12-9-14(1-2-15(9)10(18)13-8)7-6(17)5(16)4(27-7)3-26-31(22,23)29-32(24,25)28-30(19,20)21/h1-2,4-7,16-17H,3H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,12,13,18)/q-1/t4-,5-,6-,7-/m1/s1
  • InChiKey: 
    QAJSSYBGBVOZGX-DBRKOABJSA-N

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

RNA-SM complexes

PDB code Deposition date Reference publication
8txo Aug. 23, 2023 Aiyer Sriram, Baldwin Philip R., Tan Shi Min, Shan Zelin, Oh Juntaek, Mehrani Atousa, Bowman Marianne E., Louie Gordon, Passos Dario Oliveira, Đorđević-Marquardt Selena, Mietzsch Mario, Hull Joshua A., Hoshika Shuichi, Barad Benjamin A., Grotjahn Danielle A., McKenna Robert, Agbandje-McKenna Mavis, Benner Steven A., Noel Joseph A. P., Wang Dong, Tan Yong Zi, Lyumkis Dmitry. . Overcoming resolution attenuation during tilted cryo-EM data collection Nature Communications

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 524.19 g/mol
HBA not available
HBD not available
HBA + HBD
AlogP not available
TPSA not available
RB not available

Radar chart