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canSAR50457
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NAMES
    SMILES
    COc1cc(F)ccc1-c1ccc2c(-c3nc4c(N5CCN(C)CC5)cccc4[nH]3)n[nH]c2c1
    InChI
    InChI=1S/C26H25FN6O/c1-32-10-12-33(13-11-32)22-5-3-4-20-25(22)29-26(28-20)24-19-8-6-16(14-21(19)30-31-24)18-9-7-17(27)15-23(18)34-2/h3-9,14-15H,10-13H2,1-2H3,(H,28,29)(H,30,31)
    MOLECULAR FORMULA
    C26H25FN6O
    CROSS REFERENCES
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    canSAR50457

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 456.21
    AlogP 4.67
    HBond donors 2
    HBond acceptors 7
    Atoms 59
    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 canSAR50457.