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canSAR1063122
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NAMES
    SMILES
    CC(c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1)N1CC(Oc2ccc(F)cc2)C1
    InChI
    InChI=1S/C21H24FN5O3/c1-13(26-11-17(12-26)30-16-4-2-14(22)3-5-16)19-24-20-18(21(28)25-19)10-23-27(20)15-6-8-29-9-7-15/h2-5,10,13,15,17H,6-9,11-12H2,1H3,(H,24,25,28)
    MOLECULAR FORMULA
    C21H24FN5O3
    CROSS REFERENCES
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    canSAR1063122

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 413.19
    AlogP 2.43
    HBond donors 1
    HBond acceptors 8
    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 canSAR1063122.