HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Compound Z2V

Identifiers

  • Canonical SMILES: 
    C[C@H]1C[C@](C)(C[C@@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1=O)NC(=O)c3ccccc3
  • IUPAC name: 
    N-{(1R,3S,5S)-3-[(1R)-2-(2,6-dioxopiperidin-4-yl)-1-hydroxyethyl]-1,5-dimethyl-4-oxocyclohexyl}benzamide
  • InChi: 
    InChI=1S/C22H28N2O5/c1-13-11-22(2,24-21(29)15-6-4-3-5-7-15)12-16(20(13)28)17(25)8-14-9-18(26)23-19(27)10-14/h3-7,13-14,16-17,25H,8-12H2,1-2H3,(H,24,29)(H,23,26,27)/t13-,16-,17+,22+/m0/s1
  • InChiKey: 
    HNMIURKVBYLOSU-NYGMARBTSA-N

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

156587363

RNA-SM complexes

PDB code Deposition date Reference publication
7mdz April 6, 2021 Koga Yumi, Hoang Eileen M., Park Yongho, Keszei Alexander F.A., Murray Jason, Shao Sichen, Liau Brian B.. . Discovery of C13-Aminobenzoyl Cycloheximide Derivatives that Potently Inhibit Translation Elongation Journal of the American Chemical Society

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 400.20 g/mol
HBA 5
HBD 3
HBA + HBD
AlogP 1.59
TPSA 112.57
RB 5

Radar chart