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canSAR20168
FEATURES
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NAMES
    SMILES
    CN1CCN(CCOc2cc3nc(-c4ccc(NC(=O)/C=C/c5ccc(F)cc5)cc4)n(O)c3cc2[N+](=O)[O-])CC1
    InChI
    InChI=1S/C29H29FN6O5/c1-33-12-14-34(15-13-33)16-17-41-27-18-24-25(19-26(27)36(39)40)35(38)29(32-24)21-5-9-23(10-6-21)31-28(37)11-4-20-2-7-22(30)8-3-20/h2-11,18-19,38H,12-17H2,1H3,(H,31,37)/b11-4+
    MOLECULAR FORMULA
    C29H29FN6O5
    CROSS REFERENCES
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    canSAR20168

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 560.22
    AlogP 4.27
    HBond donors 2
    HBond acceptors 11
    Atoms 70
    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 canSAR20168.