canSAR1603359
FEATURES
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NAMES
    SMILES
    CCc1ccc(-c2[nH]c3c(c2-c2sc(C)c(C(=O)OC)c2O)c(=O)[nH]c(=O)n3C)cc1
    InChI
    InChI=1S/C22H21N3O5S/c1-5-11-6-8-12(9-7-11)16-14(15-19(23-16)25(3)22(29)24-20(15)27)18-17(26)13(10(2)31-18)21(28)30-4/h6-9,23,26H,5H2,1-4H3,(H,24,27,29)
    MOLECULAR FORMULA
    C22H21N3O5S
    CROSS REFERENCES
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    canSAR1603359
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight439.12
    AlogP3.31
    HBond donors3
    HBond acceptors8
    Atoms52
    Contains toxicophoreNo
    Contains PAINSYes
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1603359.