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canSAR1767394
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NAMES
    SMILES
    COc1ccc2occ(C(=O)c3coc4ccc(O)c(CN(C)C)c34)c2c1.Cl
    InChI
    InChI=1S/C21H19NO5.ClH/c1-22(2)9-14-17(23)5-7-19-20(14)16(11-27-19)21(24)15-10-26-18-6-4-12(25-3)8-13(15)18;/h4-8,10-11,23H,9H2,1-3H3;1H
    MOLECULAR FORMULA
    C21H20ClNO5
    CROSS REFERENCES
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    canSAR1767394

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 401.10
    AlogP 4.61
    HBond donors 1
    HBond acceptors 6
    Atoms 48
    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 canSAR1767394.