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Harnessing RIBOnucleic acid - Small molecules Structures

Compound L94

Identifiers

  • Canonical SMILES:
    C[NH+](C)CCC[NH+]=C(N)c1ccc(cc1)C(N)=[NH+]CCC[NH+](C)C
  • IUPAC name:
    (Z,Z)-{benzene-1,4-diylbis[(Z)-aminomethylylidene]}bis{[3-(dimethylammonio)propyl]ammonium}
  • InChi:
    InChI=1S/C18H32N6/c1-23(2)13-5-11-21-17(19)15-7-9-16(10-8-15)18(20)22-12-6-14-24(3)4/h7-10H,5-6,11-14H2,1-4H3,(H2,19,21)(H2,20,22)/p+4
  • InChiKey:
    QAWYYAYHHZQCLB-UHFFFAOYSA-R
  • SMARTS:
    [#6]-[#7+](-[#6])-[#6]-[#6]-[#6]-[#7+]=[#6](-[#7])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6](-[#7])=[#7+]-[#6]-[#6]-[#6]-[#7+](-[#6])-[#6]

Chemistry rules

Lipinski's RO5 Veber Pfizer's 3/75

External links

RNA-SM complexes

Physicochemical filters

Descriptor Lipinski's RO5 Veber Pfizer's 3/75
Compliance
MW 336.30 g/mol
HBA 0
HBD 6
HBA + HBD
AlogP -5.67
TPSA 88.86
RB 10

Radar chart