canSAR1605605
FEATURES
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NAMES
    SMILES
    Cc1ccc(OCCSc2nc3ccccc3n2CC(=O)O)c(C(C)C)c1
    InChI
    InChI=1S/C21H24N2O3S/c1-14(2)16-12-15(3)8-9-19(16)26-10-11-27-21-22-17-6-4-5-7-18(17)23(21)13-20(24)25/h4-9,12,14H,10-11,13H2,1-3H3,(H,24,25)
    MOLECULAR FORMULA
    C21H24N2O3S
    CROSS REFERENCES
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    canSAR1605605
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight384.15
    AlogP4.72
    HBond donors1
    HBond acceptors5
    Atoms51
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1605605.