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canSAR1689039
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NAMES
    SMILES
    Nc1ncnc(N2CCC(c3nc(-c4ccnc(C(F)(F)F)c4)cn3CCNCCCCl)CC2)c1Br
    InChI
    InChI=1S/C23H27BrClF3N8/c24-19-20(29)32-14-33-22(19)35-9-3-15(4-10-35)21-34-17(13-36(21)11-8-30-6-1-5-25)16-2-7-31-18(12-16)23(26,27)28/h2,7,12-15,30H,1,3-6,8-11H2,(H2,29,32,33)
    MOLECULAR FORMULA
    C23H27BrClF3N8
    CROSS REFERENCES
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    canSAR1689039

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 586.12
    AlogP 4.70
    HBond donors 3
    HBond acceptors 8
    Atoms 63
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1689039.