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canSAR1685071
FEATURES
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NAMES
    SMILES
    CCN(CC)Cc1c(O)ccc2c(=O)c(-c3ccccc3)coc12.Cl
    InChI
    InChI=1S/C20H21NO3.ClH/c1-3-21(4-2)12-16-18(22)11-10-15-19(23)17(13-24-20(15)16)14-8-6-5-7-9-14;/h5-11,13,22H,3-4,12H2,1-2H3;1H
    MOLECULAR FORMULA
    C20H22ClNO3
    CROSS REFERENCES
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    canSAR1685071

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 359.13
    AlogP 4.43
    HBond donors 1
    HBond acceptors 4
    Atoms 47
    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 canSAR1685071.