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canSAR113083
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NAMES
    SMILES
    CC(C)(C)c1ccc(-c2csc(Nc3cccc4ccccc34)n2)cc1
    InChI
    InChI=1S/C23H22N2S/c1-23(2,3)18-13-11-17(12-14-18)21-15-26-22(25-21)24-20-10-6-8-16-7-4-5-9-19(16)20/h4-15H,1-3H3,(H,24,25)
    MOLECULAR FORMULA
    C23H22N2S
    CROSS REFERENCES
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    canSAR113083

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 358.15
    AlogP 7.00
    HBond donors 1
    HBond acceptors 2
    Atoms 48
    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 canSAR113083.