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canSAR1123376
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NAMES
    SMILES
    COc1cc(OC)cc(/C(=C\c2cn(C(C)=O)c3ccc(OCc4ccccc4)cc23)C(=O)O)c1
    InChI
    InChI=1S/C28H25NO6/c1-18(30)29-16-21(13-26(28(31)32)20-11-23(33-2)14-24(12-20)34-3)25-15-22(9-10-27(25)29)35-17-19-7-5-4-6-8-19/h4-16H,17H2,1-3H3,(H,31,32)/b26-13+
    MOLECULAR FORMULA
    C28H25NO6
    CROSS REFERENCES
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    canSAR1123376

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 471.17
    AlogP 5.52
    HBond donors 1
    HBond acceptors 7
    Atoms 60
    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 canSAR1123376.