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canSAR2085417
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NAMES
    SMILES
    Cc1cccc(Cc2cc(=O)n3c(c2C2CC2)SCC3C(=O)Nc2ccccc2)c1
    InChI
    InChI=1S/C25H24N2O2S/c1-16-6-5-7-17(12-16)13-19-14-22(28)27-21(15-30-25(27)23(19)18-10-11-18)24(29)26-20-8-3-2-4-9-20/h2-9,12,14,18,21H,10-11,13,15H2,1H3,(H,26,29)
    MOLECULAR FORMULA
    C25H24N2O2S
    CROSS REFERENCES
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    canSAR2085417

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 416.16
    AlogP 4.91
    HBond donors 1
    HBond acceptors 4
    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 canSAR2085417.