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canSAR1146276
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NAMES
    SMILES
    CC1(c2ccc(NC(c3ccc(Br)cc3)c3nnnn3C3CCCCC3)cc2)NC(=O)c2ccccc2N1
    InChI
    InChI=1S/C29H30BrN7O/c1-29(32-25-10-6-5-9-24(25)28(38)33-29)20-13-17-22(18-14-20)31-26(19-11-15-21(30)16-12-19)27-34-35-36-37(27)23-7-3-2-4-8-23/h5-6,9-18,23,26,31-32H,2-4,7-8H2,1H3,(H,33,38)
    MOLECULAR FORMULA
    C29H30BrN7O
    CROSS REFERENCES
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    canSAR1146276

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 571.17
    AlogP 6.17
    HBond donors 3
    HBond acceptors 8
    Atoms 68
    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 canSAR1146276.