canSAR1601058
FEATURES
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NAMES
    SMILES
    CC1CCN(CC#CCOc2ccc(Cl)cc2)CC1.O=C(O)C(=O)O
    InChI
    InChI=1S/C16H20ClNO.C2H2O4/c1-14-8-11-18(12-9-14)10-2-3-13-19-16-6-4-15(17)5-7-16;3-1(4)2(5)6/h4-7,14H,8-13H2,1H3;(H,3,4)(H,5,6)
    MOLECULAR FORMULA
    C18H22ClNO5
    CROSS REFERENCES
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    canSAR1601058
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight367.12
    AlogP2.61
    HBond donors2
    HBond acceptors6
    Atoms47
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1601058.