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canSAR1446045
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NAMES
    SMILES
    Br.C=CCN1C2=NCCCN2c2ccccc21
    InChI
    InChI=1S/C13H15N3.BrH/c1-2-9-15-11-6-3-4-7-12(11)16-10-5-8-14-13(15)16;/h2-4,6-7H,1,5,8-10H2;1H
    MOLECULAR FORMULA
    C13H16BrN3
    CROSS REFERENCES
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    canSAR1446045

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 293.05
    AlogP 2.84
    HBond donors 0
    HBond acceptors 3
    Atoms 33
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1446045.