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canSAR2019022
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NAMES
    SMILES
    [Br-].c1ccc(CNc2nc(-c3ccccc3)[n+](-c3ccccc3)s2)cc1
    InChI
    InChI=1S/C21H17N3S.BrH/c1-4-10-17(11-5-1)16-22-21-23-20(18-12-6-2-7-13-18)24(25-21)19-14-8-3-9-15-19;/h1-15H,16H2;1H
    MOLECULAR FORMULA
    C21H18BrN3S
    CROSS REFERENCES
    2019022 logo

    canSAR2019022

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 423.04
    AlogP 1.70
    HBond donors 1
    HBond acceptors 3
    Atoms 44
    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 canSAR2019022.