canSAR1645506
FEATURES
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NAMES
    SMILES
    COC(=O)COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc1OC
    InChI
    InChI=1S/C22H20N2O6S/c1-13-4-7-15(8-5-13)24-21(27)16(20(26)23-22(24)31)10-14-6-9-17(18(11-14)28-2)30-12-19(25)29-3/h4-11H,12H2,1-3H3,(H,23,26,31)/b16-10+
    MOLECULAR FORMULA
    C22H20N2O6S
    CROSS REFERENCES
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    canSAR1645506
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight440.10
    AlogP2.39
    HBond donors1
    HBond acceptors8
    Atoms51
    Contains toxicophoreYes
    Contains PAINSYes
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1645506.