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canSAR651456
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NAMES
    SMILES
    CN1CCC(C(=O)N2Cc3c(NC(=O)Nc4cccc(F)c4)n[nH]c3C2(C)C)CC1
    InChI
    InChI=1S/C21H27FN6O2/c1-21(2)17-16(12-28(21)19(29)13-7-9-27(3)10-8-13)18(26-25-17)24-20(30)23-15-6-4-5-14(22)11-15/h4-6,11,13H,7-10,12H2,1-3H3,(H3,23,24,25,26,30)
    MOLECULAR FORMULA
    C21H27FN6O2
    CROSS REFERENCES
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    canSAR651456

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 414.22
    AlogP 3.11
    HBond donors 3
    HBond acceptors 8
    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 canSAR651456.