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canSAR56531
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NAMES
    SMILES
    CN1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4cccc([N+](=O)[O-])c4)c3n2)CC1
    InChI
    InChI=1S/C21H21F3N6O2/c1-28-5-7-29(8-6-28)19-13-26-18-11-15(21(22,23)24)10-17(20(18)27-19)25-12-14-3-2-4-16(9-14)30(31)32/h2-4,9-11,13,25H,5-8,12H2,1H3
    MOLECULAR FORMULA
    C21H21F3N6O2
    CROSS REFERENCES
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    canSAR56531

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 446.17
    AlogP 3.92
    HBond donors 1
    HBond acceptors 8
    Atoms 53
    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 canSAR56531.