canSAR1773913
FEATURES
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NAMES
    SMILES
    COc1ccc(CCN2C(=S)N(c3ccccc3)C(=O)C2CC(=O)O)cc1OC
    InChI
    InChI=1S/C21H22N2O5S/c1-27-17-9-8-14(12-18(17)28-2)10-11-22-16(13-19(24)25)20(26)23(21(22)29)15-6-4-3-5-7-15/h3-9,12,16H,10-11,13H2,1-2H3,(H,24,25)
    MOLECULAR FORMULA
    C21H22N2O5S
    CROSS REFERENCES
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    canSAR1773913
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight414.12
    AlogP2.72
    HBond donors1
    HBond acceptors7
    Atoms51
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1773913.