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canSAR112596
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NAMES
    SMILES
    N#Cc1ccc(Cn2cncc2CNC2Cc3ccccc3CN(c3cccc(Br)c3)C2=O)cc1
    InChI
    InChI=1S/C28H24BrN5O/c29-24-6-3-7-25(13-24)34-18-23-5-2-1-4-22(23)12-27(28(34)35)32-16-26-15-31-19-33(26)17-21-10-8-20(14-30)9-11-21/h1-11,13,15,19,27,32H,12,16-18H2
    MOLECULAR FORMULA
    C28H24BrN5O
    CROSS REFERENCES
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    canSAR112596

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 525.12
    AlogP 4.81
    HBond donors 1
    HBond acceptors 6
    Atoms 59
    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 canSAR112596.