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canSAR1021491
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NAMES
    SMILES
    FC(F)(F)c1nc(NCCCc2ccccc2)c2nnn(C[C@H]3CCCO3)c2n1
    InChI
    InChI=1S/C19H21F3N6O/c20-19(21,22)18-24-16(23-10-4-8-13-6-2-1-3-7-13)15-17(25-18)28(27-26-15)12-14-9-5-11-29-14/h1-3,6-7,14H,4-5,8-12H2,(H,23,24,25)/t14-/m1/s1
    MOLECULAR FORMULA
    C19H21F3N6O
    CROSS REFERENCES
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    canSAR1021491

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 406.17
    AlogP 3.46
    HBond donors 1
    HBond acceptors 7
    Atoms 50
    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 canSAR1021491.