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canSAR1633591
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NAMES
    SMILES
    O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4ncccn4)ccn23)c1
    InChI
    InChI=1S/C20H15F3N6O/c21-20(22,23)12-27-19(30)28-15-4-1-3-13(9-15)16-11-26-17-10-14(5-8-29(16)17)18-24-6-2-7-25-18/h1-11H,12H2,(H2,27,28,30)
    MOLECULAR FORMULA
    C20H15F3N6O
    CROSS REFERENCES
    1633591 logo

    canSAR1633591

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 412.13
    AlogP 4.14
    HBond donors 2
    HBond acceptors 7
    Atoms 45
    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 canSAR1633591.