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canSAR2018346
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NAMES
    SMILES
    O=C(Nc1nnc(N2CCCCCC2)s1)Nc1ccccc1C(F)(F)F
    InChI
    InChI=1S/C16H18F3N5OS/c17-16(18,19)11-7-3-4-8-12(11)20-13(25)21-14-22-23-15(26-14)24-9-5-1-2-6-10-24/h3-4,7-8H,1-2,5-6,9-10H2,(H2,20,21,22,25)
    MOLECULAR FORMULA
    C16H18F3N5OS
    CROSS REFERENCES
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    canSAR2018346

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 385.12
    AlogP 4.58
    HBond donors 2
    HBond acceptors 6
    Atoms 44
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2018346.