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canSAR745399
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NAMES
    SMILES
    CN(C)CCCOc1cc(F)c(-c2c(Cl)nc(-c3cnccn3)nc2NCC(F)(F)F)c(F)c1
    InChI
    InChI=1S/C21H20ClF5N6O/c1-33(2)6-3-7-34-12-8-13(23)16(14(24)9-12)17-18(22)31-19(15-10-28-4-5-29-15)32-20(17)30-11-21(25,26)27/h4-5,8-10H,3,6-7,11H2,1-2H3,(H,30,31,32)
    MOLECULAR FORMULA
    C21H20ClF5N6O
    CROSS REFERENCES
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    canSAR745399

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 502.13
    AlogP 4.84
    HBond donors 1
    HBond acceptors 7
    Atoms 54
    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 canSAR745399.