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Harnessing RIBOnucleic acid - Small molecules Structures

Compound Z2V

Identifiers

  • Canonical SMILES:
    C[C@H]1C[C@](C)(C[C@@H]([C@H](O)CC2CC(=O)NC(=O)C2)C1=O)NC(=O)c3ccccc3
  • IUPAC name:
    N-{(1R,3S,5S)-3-[(1R)-2-(2,6-dioxopiperidin-4-yl)-1-hydroxyethyl]-1,5-dimethyl-4-oxocyclohexyl}benzamide
  • InChi:
    InChI=1S/C22H28N2O5/c1-13-11-22(2,24-21(29)15-6-4-3-5-7-15)12-16(20(13)28)17(25)8-14-9-18(26)23-19(27)10-14/h3-7,13-14,16-17,25H,8-12H2,1-2H3,(H,24,29)(H,23,26,27)/t13-,16-,17+,22+/m0/s1
  • InChiKey:
    HNMIURKVBYLOSU-NYGMARBTSA-N
  • SMARTS:
    [#6]-[#6@H]1-[#6]-[#6@](-[#6])(-[#6]-[#6@@H](-[#6@H](-[#8])-[#6]-[#6]2-[#6]-[#6](=[#8])-[#7]-[#6](=[#8])-[#6]-2)-[#6]-1=[#8])-[#7]-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1

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 400.20 g/mol
HBA 5
HBD 3
HBA + HBD
AlogP 1.59
TPSA 112.57
RB 5

Radar chart