canSAR633166
FEATURES
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NAMES
    SMILES
    COc1ccc(C2C(C#N)=C(S)N(C3OC(CO)C(O)C(O)C3O)C(C)=C2C(C)=O)cc1
    InChI
    InChI=1S/C22H26N2O7S/c1-10-16(11(2)26)17(12-4-6-13(30-3)7-5-12)14(8-23)22(32)24(10)21-20(29)19(28)18(27)15(9-25)31-21/h4-7,15,17-21,25,27-29,32H,9H2,1-3H3
    MOLECULAR FORMULA
    C22H26N2O7S
    CROSS REFERENCES
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    canSAR633166
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight462.15
    AlogP0.42
    HBond donors4
    HBond acceptors9
    Atoms58
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR633166.