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canSAR462487
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NAMES
    SMILES
    COCC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
    InChI
    InChI=1S/C19H15BrN4O2/c1-26-9-3-6-18(25)23-15-7-8-17-16(11-15)19(22-12-21-17)24-14-5-2-4-13(20)10-14/h2,4-5,7-8,10-12H,9H2,1H3,(H,23,25)(H,21,22,24)
    MOLECULAR FORMULA
    C19H15BrN4O2
    CROSS REFERENCES
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    canSAR462487

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 410.04
    AlogP 3.72
    HBond donors 2
    HBond acceptors 6
    Atoms 41
    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 canSAR462487.