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Harnessing RIBOnucleic acid - Small molecules Structures

Compound G6V

Identifiers

  • Canonical SMILES:
    Fc1cc(ccc1N2CCOCC2)N3C[C@H](CNC(=O)C(Cl)Cl)OC3=O
  • IUPAC name:
    2,2-dichloro-N-({(5S)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)acetamide
  • InChi:
    InChI=1S/C16H18Cl2FN3O4/c17-14(18)15(23)20-8-11-9-22(16(24)26-11)10-1-2-13(12(19)7-10)21-3-5-25-6-4-21/h1-2,7,11,14H,3-6,8-9H2,(H,20,23)/t11-/m0/s1
  • InChiKey:
    YEXPTKNKQPHGOQ-NSHDSACASA-N
  • SMARTS:
    [#9]-[#6]1:[#6]:[#6](:[#6]:[#6]:[#6]:1-[#7]1-[#6]-[#6]-[#8]-[#6]-[#6]-1)-[#7]1-[#6]-[#6@H](-[#6]-[#7]-[#6](=[#8])-[#6](-[#17])-[#17])-[#8]-[#6]-1=[#8]

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 405.07 g/mol
HBA 5
HBD 1
HBA + HBD
AlogP 1.91
TPSA 71.11
RB 5

Radar chart