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canSAR1433679
FEATURES
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NAMES
    SMILES
    COc1ccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2CCOCCO)cc1OC
    InChI
    InChI=1S/C21H23NO8/c1-27-14-6-5-13(12-16(14)28-2)18-17(19(24)15-4-3-9-30-15)20(25)21(26)22(18)7-10-29-11-8-23/h3-6,9,12,18,23,25H,7-8,10-11H2,1-2H3
    MOLECULAR FORMULA
    C21H23NO8
    CROSS REFERENCES
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    canSAR1433679

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 417.14
    AlogP 1.88
    HBond donors 2
    HBond acceptors 9
    Atoms 53
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1433679.