HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Compound OJI

Identifiers

  • Canonical SMILES: 
    Nc1ncc2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
  • InChi: 
    InChI=1S/C10H13N5O4/c11-10-12-1-4-8(14-10)15(3-13-4)9-7(18)6(17)5(2-16)19-9/h1,3,5-7,9,16-18H,2H2,(H2,11,12,14)/t5-,6-,7-,9-/m1/s1
  • InChiKey: 
    JVOJULURLCZUDE-JXOAFFINSA-N

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

11065406 CHEMBL1651367

RNA-SM complexes

PDB code Deposition date Reference publication
8i7n Feb. 1, 2023 Luo Bingnan, Zhang Chong, Ling Xiaobin, Mukherjee Sunandan, Jia Guowen, Xie Jiahao, Jia Xinyu, Liu Liu, Baulin Eugene F., Luo Yongbo, Jiang Longxing, Dong Haohao, Wei Xiawei, Bujnicki Janusz M., Su Zhaoming. . Cryo-EM reveals dynamics of Tetrahymena group I intron self-splicing Nature Catalysis

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 267.10 g/mol
HBA 9
HBD 4
HBA + HBD
AlogP -1.98
TPSA 139.54
RB 2

Radar chart