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canSAR1830743
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NAMES
    SMILES
    Cc1ccc(Nc2cc(C)nn2-c2nc(C)cc(O)n2)cc1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C16H17N5O.C2HF3O2/c1-10-4-6-13(7-5-10)18-14-8-12(3)20-21(14)16-17-11(2)9-15(22)19-16;3-2(4,5)1(6)7/h4-9,18H,1-3H3,(H,17,19,22);(H,6,7)
    MOLECULAR FORMULA
    C18H18F3N5O3
    CROSS REFERENCES
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    canSAR1830743

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 409.14
    AlogP 3.67
    HBond donors 3
    HBond acceptors 8
    Atoms 47
    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 canSAR1830743.