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canSAR1016034
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NAMES
    SMILES
    O[C@H]1CC[C@H](Nc2ncc3nc(Nc4ccccc4F)n(C4CCCC4)c3n2)CC1
    InChI
    InChI=1S/C22H27FN6O/c23-17-7-3-4-8-18(17)26-22-27-19-13-24-21(25-14-9-11-16(30)12-10-14)28-20(19)29(22)15-5-1-2-6-15/h3-4,7-8,13-16,30H,1-2,5-6,9-12H2,(H,26,27)(H,24,25,28)/t14-,16-
    MOLECULAR FORMULA
    C22H27FN6O
    CROSS REFERENCES
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    canSAR1016034

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 410.22
    AlogP 4.54
    HBond donors 3
    HBond acceptors 7
    Atoms 57
    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 canSAR1016034.