HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Compound YO3

Identifiers

  • Canonical SMILES: 
    CN1C=C\C(=C/C=C/c2oc3ccccc3[n+]2C)c4ccccc14
  • IUPAC name: 
    3-methyl-2-[(1E,3E)-3-(1-methylquinolin-4(1H)-ylidene)prop-1-en-1-yl]-1,3-benzoxazol-3-ium
  • InChi: 
    InChI=1S/C21H19N2O/c1-22-15-14-16(17-9-3-4-10-18(17)22)8-7-13-21-23(2)19-11-5-6-12-20(19)24-21/h3-15H,1-2H3/q+1
  • InChiKey: 
    VHMUTYCKXYROKA-UHFFFAOYSA-N

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

59853378

RNA-SM complexes

PDB code Deposition date Reference publication
6up0 Oct. 16, 2019 Jeng Sunny C.Y., Trachman Robert J., Weissenboeck Florian, Truong Lynda, Link Katie A., Jepsen Mette D.E., Knutson Jay R., Andersen Ebbe S., Ferré-D'Amaré Adrian R., Unrau Peter J.. . Fluorogenic aptamers resolve the flexibility of RNA junctions using orientation-dependent FRET RNA
6up0 Oct. 16, 2019 Jeng Sunny C.Y., Trachman Robert J., Weissenboeck Florian, Truong Lynda, Link Katie A., Jepsen Mette D.E., Knutson Jay R., Andersen Ebbe S., Ferré-D'Amaré Adrian R., Unrau Peter J.. . Fluorogenic aptamers resolve the flexibility of RNA junctions using orientation-dependent FRET RNA

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 315.15 g/mol
HBA 2
HBD 0
HBA + HBD
AlogP 4.32
TPSA 20.26
RB 2

Radar chart