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canSAR668577
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NAMES
    SMILES
    O=C(Nc1cccc(-c2ccnc3cc(-c4ccnc(NCCN5CCOCC5)c4)nn23)c1)c1cccc(C(F)(F)F)c1
    InChI
    InChI=1S/C31H28F3N7O2/c32-31(33,34)24-5-1-4-23(17-24)30(42)38-25-6-2-3-22(18-25)27-8-10-37-29-20-26(39-41(27)29)21-7-9-35-28(19-21)36-11-12-40-13-15-43-16-14-40/h1-10,17-20H,11-16H2,(H,35,36)(H,38,42)
    MOLECULAR FORMULA
    C31H28F3N7O2
    CROSS REFERENCES
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    canSAR668577

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 587.23
    AlogP 5.47
    HBond donors 2
    HBond acceptors 9
    Atoms 71
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR668577.