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canSAR659652
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NAMES
    SMILES
    CC(C)(C)NC(=O)c1nn(-c2ccccc2Cl)c(-c2ccc(Br)cc2)c1Cn1cncn1
    InChI
    InChI=1S/C23H22BrClN6O/c1-23(2,3)28-22(32)20-17(12-30-14-26-13-27-30)21(15-8-10-16(24)11-9-15)31(29-20)19-7-5-4-6-18(19)25/h4-11,13-14H,12H2,1-3H3,(H,28,32)
    MOLECULAR FORMULA
    C23H22BrClN6O
    CROSS REFERENCES
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    canSAR659652

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 512.07
    AlogP 5.12
    HBond donors 1
    HBond acceptors 7
    Atoms 54
    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 canSAR659652.