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canSAR562002
FEATURES
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NAMES
    SMILES
    Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)/N=C/c1cnc2ccc(C(F)(F)F)cn12
    InChI
    InChI=1S/C17H14F3N5O4S/c1-11-3-5-13(25(26)27)7-15(11)30(28,29)23(2)22-9-14-8-21-16-6-4-12(10-24(14)16)17(18,19)20/h3-10H,1-2H3/b22-9+
    MOLECULAR FORMULA
    C17H14F3N5O4S
    CROSS REFERENCES
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    canSAR562002

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 441.07
    AlogP 3.22
    HBond donors 0
    HBond acceptors 9
    Atoms 44
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR562002.