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canSAR560554
FEATURES
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NAMES
    SMILES
    CCN(CC)CCOc1cc(O)c2c3c(oc2c1)C(=O)c1ccccc1C3=O
    InChI
    InChI=1S/C22H21NO5/c1-3-23(4-2)9-10-27-13-11-16(24)18-17(12-13)28-22-19(18)20(25)14-7-5-6-8-15(14)21(22)26/h5-8,11-12,24H,3-4,9-10H2,1-2H3
    MOLECULAR FORMULA
    C22H21NO5
    CROSS REFERENCES
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    canSAR560554

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 379.14
    AlogP 3.63
    HBond donors 1
    HBond acceptors 6
    Atoms 49
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR560554.