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canSAR1727352
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NAMES
    SMILES
    COc1ccc(CCNCC(C)c2ccccc2)cc1.O=C(O)C(=O)O
    InChI
    InChI=1S/C18H23NO.C2H2O4/c1-15(17-6-4-3-5-7-17)14-19-13-12-16-8-10-18(20-2)11-9-16;3-1(4)2(5)6/h3-11,15,19H,12-14H2,1-2H3;(H,3,4)(H,5,6)
    MOLECULAR FORMULA
    C20H25NO5
    CROSS REFERENCES
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    canSAR1727352

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 359.17
    AlogP 2.79
    HBond donors 3
    HBond acceptors 6
    Atoms 51
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1727352.