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canSAR149701
FEATURES
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NAMES
    SMILES
    CCc1cc(Nc2cc(=O)n(CCCCN3CCN(c4c(F)cc5c(=O)c(C(=O)O)cn(C6CC6)c5c4OC)CC3)c(=O)[nH]2)ccc1C
    InChI
    InChI=1S/C35H41FN6O6/c1-4-22-17-23(8-7-21(22)2)37-28-19-29(43)41(35(47)38-28)12-6-5-11-39-13-15-40(16-14-39)31-27(36)18-25-30(33(31)48-3)42(24-9-10-24)20-26(32(25)44)34(45)46/h7-8,17-20,24,37H,4-6,9-16H2,1-3H3,(H,38,47)(H,45,46)
    MOLECULAR FORMULA
    C35H41FN6O6
    CROSS REFERENCES
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    canSAR149701

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 660.31
    AlogP 4.25
    HBond donors 3
    HBond acceptors 12
    Atoms 89
    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 canSAR149701.