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canSAR1826782
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NAMES
    SMILES
    Cc1ccc(CN(Cc2ccco2)C(S)=NCC(=O)O)cc1
    InChI
    InChI=1S/C16H18N2O3S/c1-12-4-6-13(7-5-12)10-18(11-14-3-2-8-21-14)16(22)17-9-15(19)20/h2-8H,9-11H2,1H3,(H,17,22)(H,19,20)
    MOLECULAR FORMULA
    C16H18N2O3S
    CROSS REFERENCES
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    canSAR1826782

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 318.10
    AlogP 2.96
    HBond donors 1
    HBond acceptors 5
    Atoms 40
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1826782.