HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Compound 2ZY

Identifiers

  • Canonical SMILES: 
    CC1=NC(=C/c2cc(F)c(O)c(F)c2)\C(=O)N1CC(F)(F)F
  • IUPAC name: 
    (5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2-methyl-3-(2,2,2-trifluoroethyl)-3,5-dihydro-4H-imidazol-4-one
  • InChi: 
    InChI=1S/C13H9F5N2O2/c1-6-19-10(12(22)20(6)5-13(16,17)18)4-7-2-8(14)11(21)9(15)3-7/h2-4,21H,5H2,1H3/b10-4-
  • InChiKey: 
    AWYCLBWNRONMQC-WMZJFQQLSA-N

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

101889712

RNA-SM complexes

PDB code Deposition date Reference publication
4q9r May 1, 2014 Huang Hao, Suslov Nikolai B, Li Nan-Sheng, Shelke Sandip A, Evans Molly E, Koldobskaya Yelena, Rice Phoebe A, Piccirilli Joseph A. . A G-quadruplex–containing RNA activates fluorescence in a GFP-like fluorophore Nature Chemical Biology
7kvt Nov. 28, 2020 Truong Lynda, Kooshapur Hamed, Dey Sourav Kumar, Li Xing, Tjandra Nico, Jaffrey Samie R., Ferré-D’Amaré Adrian R.. . The fluorescent aptamer Squash extensively repurposes the adenine riboswitch fold Nature Chemical Biology
7kvu Nov. 28, 2020 Truong Lynda, Kooshapur Hamed, Dey Sourav Kumar, Li Xing, Tjandra Nico, Jaffrey Samie R., Ferré-D’Amaré Adrian R.. . The fluorescent aptamer Squash extensively repurposes the adenine riboswitch fold Nature Chemical Biology

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 320.06 g/mol
HBA 3
HBD 1
HBA + HBD
AlogP 2.83
TPSA 52.90
RB 2

Radar chart