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canSAR989660
FEATURES
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NAMES
    SMILES
    COc1c(N2CCN(C/C(C)=N/NC(=O)c3ccncc3)C(C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12
    InChI
    InChI=1S/C28H31FN6O5/c1-16(31-32-27(37)18-6-8-30-9-7-18)13-33-10-11-34(14-17(33)2)24-22(29)12-20-23(26(24)40-3)35(19-4-5-19)15-21(25(20)36)28(38)39/h6-9,12,15,17,19H,4-5,10-11,13-14H2,1-3H3,(H,32,37)(H,38,39)/b31-16+
    MOLECULAR FORMULA
    C28H31FN6O5
    CROSS REFERENCES
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    canSAR989660

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 550.23
    AlogP 2.89
    HBond donors 2
    HBond acceptors 11
    Atoms 71
    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 canSAR989660.