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canSAR1714741
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NAMES
    SMILES
    COc1ccc([C@@H]2C=C(C(=O)O)O[C@H](OCCCCO)C2)cc1
    InChI
    InChI=1S/C17H22O6/c1-21-14-6-4-12(5-7-14)13-10-15(17(19)20)23-16(11-13)22-9-3-2-8-18/h4-7,10,13,16,18H,2-3,8-9,11H2,1H3,(H,19,20)/t13-,16+/m1/s1
    MOLECULAR FORMULA
    C17H22O6
    CROSS REFERENCES
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    canSAR1714741

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 322.14
    AlogP 2.28
    HBond donors 2
    HBond acceptors 6
    Atoms 45
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1714741.