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canSAR1528511
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NAMES
    SMILES
    Cc1ccc(SCCC(=O)NCc2ccccn2)cc1
    InChI
    InChI=1S/C16H18N2OS/c1-13-5-7-15(8-6-13)20-11-9-16(19)18-12-14-4-2-3-10-17-14/h2-8,10H,9,11-12H2,1H3,(H,18,19)
    MOLECULAR FORMULA
    C16H18N2OS
    CROSS REFERENCES
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    canSAR1528511

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 286.11
    AlogP 3.19
    HBond donors 1
    HBond acceptors 3
    Atoms 38
    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 canSAR1528511.