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canSAR1061829
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NAMES
    SMILES
    CCCS(=O)(=O)c1ccc2[nH]c(N3CCN(C)C(c4ccccc4)C3)nc2c1
    InChI
    InChI=1S/C21H26N4O2S/c1-3-13-28(26,27)17-9-10-18-19(14-17)23-21(22-18)25-12-11-24(2)20(15-25)16-7-5-4-6-8-16/h4-10,14,20H,3,11-13,15H2,1-2H3,(H,22,23)
    MOLECULAR FORMULA
    C21H26N4O2S
    CROSS REFERENCES
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    canSAR1061829

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 398.18
    AlogP 3.24
    HBond donors 1
    HBond acceptors 6
    Atoms 54
    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 canSAR1061829.