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canSAR463076
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NAMES
    SMILES
    CCCCc1ncc(/C=C(\Cc2cccs2)C(=O)O)n1Cc1ccccc1C#N
    InChI
    InChI=1S/C23H23N3O2S/c1-2-3-10-22-25-15-20(12-19(23(27)28)13-21-9-6-11-29-21)26(22)16-18-8-5-4-7-17(18)14-24/h4-9,11-12,15H,2-3,10,13,16H2,1H3,(H,27,28)/b19-12+
    MOLECULAR FORMULA
    C23H23N3O2S
    CROSS REFERENCES
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    canSAR463076

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 405.15
    AlogP 4.92
    HBond donors 1
    HBond acceptors 5
    Atoms 52
    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 canSAR463076.