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canSAR1489959
FEATURES
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NAMES
    SMILES
    Cc1ccc(C(=O)Nc2cc(CN3CCCC3)cc(C(F)(F)F)c2)cc1Nc1ncnc2ccc(N3CCOCC3)nc12
    InChI
    InChI=1S/C31H32F3N7O2/c1-20-4-5-22(30(42)37-24-15-21(18-40-8-2-3-9-40)14-23(17-24)31(32,33)34)16-26(20)38-29-28-25(35-19-36-29)6-7-27(39-28)41-10-12-43-13-11-41/h4-7,14-17,19H,2-3,8-13,18H2,1H3,(H,37,42)(H,35,36,38)
    MOLECULAR FORMULA
    C31H32F3N7O2
    CROSS REFERENCES
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    canSAR1489959

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 591.26
    AlogP 5.78
    HBond donors 2
    HBond acceptors 9
    Atoms 75
    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 canSAR1489959.