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canSAR2000916
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NAMES
    SMILES
    COc1ccc(NCc2cc(OC)c(OC)c(OC)c2)cc1O.Cl
    InChI
    InChI=1S/C17H21NO5.ClH/c1-20-14-6-5-12(9-13(14)19)18-10-11-7-15(21-2)17(23-4)16(8-11)22-3;/h5-9,18-19H,10H2,1-4H3;1H
    MOLECULAR FORMULA
    C17H22ClNO5
    CROSS REFERENCES
    2000916 logo

    canSAR2000916

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 355.12
    AlogP 3.46
    HBond donors 2
    HBond acceptors 6
    Atoms 46
    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 canSAR2000916.