canSAR2079947
FEATURES
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NAMES
    SMILES
    O=C(NCc1cccnc1)c1sc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[n+]1[O-]
    InChI
    InChI=1S/C15H9F3N4O4S/c16-15(17,18)9-4-10-12(11(5-9)22(25)26)27-14(21(10)24)13(23)20-7-8-2-1-3-19-6-8/h1-6H,7H2,(H,20,23)
    MOLECULAR FORMULA
    C15H9F3N4O4S
    CROSS REFERENCES
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    canSAR2079947
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight398.03
    AlogP2.79
    HBond donors1
    HBond acceptors8
    Atoms36
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2079947.