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canSAR503072
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NAMES
    SMILES
    CCN(CC)Cc1cc(Nc2cc(C(F)(F)F)nc(/N=C(\N)Nc3ccccc3)n2)ccc1O
    InChI
    InChI=1S/C23H26F3N7O/c1-3-33(4-2)14-15-12-17(10-11-18(15)34)28-20-13-19(23(24,25)26)30-22(31-20)32-21(27)29-16-8-6-5-7-9-16/h5-13,34H,3-4,14H2,1-2H3,(H4,27,28,29,30,31,32)
    MOLECULAR FORMULA
    C23H26F3N7O
    CROSS REFERENCES
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    canSAR503072

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 473.22
    AlogP 4.84
    HBond donors 5
    HBond acceptors 8
    Atoms 60
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR503072.