HARIBOSS

Harnessing RIBOnucleic acid - Small molecules Structures

Compound SPE

Identifiers

  • Canonical SMILES: 
    NCCCNCCCNCCCN
  • IUPAC name: 
    N,N'-bis(3-aminopropyl)propane-1,3-diamine
  • InChi: 
    InChI=1S/C9H24N4/c10-4-1-6-12-8-3-9-13-7-2-5-11/h12-13H,1-11H2
  • InChiKey: 
    ZAXCZCOUDLENMH-UHFFFAOYSA-N

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

78350 CHEMBL91193

RNA-SM complexes

PDB code Deposition date Reference publication
5ib7 Feb. 22, 2016 Rozov Alexey, Westhof Eric, Yusupov Marat, Yusupova Gulnara. . The ribosome prohibits the G•U wobble geometry at the first position of the codon–anticodon helix Nucleic Acids Research
5ib7 Feb. 22, 2016 Rozov Alexey, Westhof Eric, Yusupov Marat, Yusupova Gulnara. . The ribosome prohibits the G•U wobble geometry at the first position of the codon–anticodon helix Nucleic Acids Research
5ib8 Feb. 22, 2016 Rozov Alexey, Westhof Eric, Yusupov Marat, Yusupova Gulnara. . The ribosome prohibits the G•U wobble geometry at the first position of the codon–anticodon helix Nucleic Acids Research
5ibb Feb. 22, 2016 Rozov Alexey, Westhof Eric, Yusupov Marat, Yusupova Gulnara. . The ribosome prohibits the G•U wobble geometry at the first position of the codon–anticodon helix Nucleic Acids Research
5ibb Feb. 22, 2016 Rozov Alexey, Westhof Eric, Yusupov Marat, Yusupova Gulnara. . The ribosome prohibits the G•U wobble geometry at the first position of the codon–anticodon helix Nucleic Acids Research
5ibb Feb. 22, 2016 Rozov Alexey, Westhof Eric, Yusupov Marat, Yusupova Gulnara. . The ribosome prohibits the G•U wobble geometry at the first position of the codon–anticodon helix Nucleic Acids Research

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 188.20 g/mol
HBA 4
HBD 4
HBA + HBD
AlogP -0.75
TPSA 76.10
RB 10

Radar chart