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canSAR1767684
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NAMES
    SMILES
    N#Cc1ccc(-c2c[n+](-c3ccccc3)c3n2CCCS3)cc1.[Br-]
    InChI
    InChI=1S/C19H16N3S.BrH/c20-13-15-7-9-16(10-8-15)18-14-22(17-5-2-1-3-6-17)19-21(18)11-4-12-23-19;/h1-3,5-10,14H,4,11-12H2;1H/q+1;/p-1
    MOLECULAR FORMULA
    C19H16BrN3S
    CROSS REFERENCES
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    canSAR1767684

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 397.02
    AlogP 0.80
    HBond donors 0
    HBond acceptors 3
    Atoms 40
    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 canSAR1767684.