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canSAR101525
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NAMES
    SMILES
    CC1(C)CC1C(=O)N/C(=C\CCCCSc1ccccc1)C(=O)O
    InChI
    InChI=1S/C19H25NO3S/c1-19(2)13-15(19)17(21)20-16(18(22)23)11-7-4-8-12-24-14-9-5-3-6-10-14/h3,5-6,9-11,15H,4,7-8,12-13H2,1-2H3,(H,20,21)(H,22,23)/b16-11-
    MOLECULAR FORMULA
    C19H25NO3S
    CROSS REFERENCES
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    canSAR101525

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 347.16
    AlogP 4.08
    HBond donors 2
    HBond acceptors 4
    Atoms 49
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR101525.