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canSAR1013412
FEATURES
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NAMES
    SMILES
    COc1cc(O)ccc1/C=C/C(=O)OCCc1ccc(O)cc1
    InChI
    InChI=1S/C18H18O5/c1-22-17-12-16(20)8-4-14(17)5-9-18(21)23-11-10-13-2-6-15(19)7-3-13/h2-9,12,19-20H,10-11H2,1H3/b9-5+
    MOLECULAR FORMULA
    C18H18O5
    CROSS REFERENCES
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    canSAR1013412

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 314.12
    AlogP 2.91
    HBond donors 2
    HBond acceptors 5
    Atoms 41
    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 canSAR1013412.