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canSAR1099574
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NAMES
    SMILES
    O=C(CN1CCN(Cc2cccc(Br)c2)CC1)Nc1ccc2c(c1)CCc1nnc(-c3cccc(Cl)c3)n1-2
    InChI
    InChI=1S/C29H28BrClN6O/c30-23-5-1-3-20(15-23)18-35-11-13-36(14-12-35)19-28(38)32-25-8-9-26-21(17-25)7-10-27-33-34-29(37(26)27)22-4-2-6-24(31)16-22/h1-6,8-9,15-17H,7,10-14,18-19H2,(H,32,38)
    MOLECULAR FORMULA
    C29H28BrClN6O
    CROSS REFERENCES
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    canSAR1099574

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 590.12
    AlogP 5.21
    HBond donors 1
    HBond acceptors 7
    Atoms 66
    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 canSAR1099574.