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canSAR1975322
FEATURES
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NAMES
    SMILES
    COc1cc(/C=C2\SC(=Nc3ccccc3)N(Cc3ccco3)C2=O)ccc1OC(C)C(=O)O
    InChI
    InChI=1S/C25H22N2O6S/c1-16(24(29)30)33-20-11-10-17(13-21(20)31-2)14-22-23(28)27(15-19-9-6-12-32-19)25(34-22)26-18-7-4-3-5-8-18/h3-14,16H,15H2,1-2H3,(H,29,30)/b22-14-,26-25?
    MOLECULAR FORMULA
    C25H22N2O6S
    CROSS REFERENCES
    1975322 logo

    canSAR1975322

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 478.12
    AlogP 4.94
    HBond donors 1
    HBond acceptors 8
    Atoms 56
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1975322.