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canSAR1501722
FEATURES
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NAMES
    SMILES
    CN1CCc2cc(Nc3nc(-c4cc(F)cc(N5CCn6c(cc7c6CCCC7)C5=O)c4CO)cn(C)c3=O)ccc2C1
    InChI
    InChI=1S/C33H35FN6O3/c1-37-10-9-20-13-24(8-7-22(20)17-37)35-31-33(43)38(2)18-27(36-31)25-15-23(34)16-29(26(25)19-41)40-12-11-39-28-6-4-3-5-21(28)14-30(39)32(40)42/h7-8,13-16,18,41H,3-6,9-12,17,19H2,1-2H3,(H,35,36)
    MOLECULAR FORMULA
    C33H35FN6O3
    CROSS REFERENCES
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    canSAR1501722

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 582.28
    AlogP 4.15
    HBond donors 2
    HBond acceptors 9
    Atoms 78
    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 canSAR1501722.