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canSAR1768042
FEATURES
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NAMES
    SMILES
    O=C([O-])CC(=O)NC12CC3CC(CC(C3)C1)C2.[Na+]
    InChI
    InChI=1S/C13H19NO3.Na/c15-11(4-12(16)17)14-13-5-8-1-9(6-13)3-10(2-8)7-13;/h8-10H,1-7H2,(H,14,15)(H,16,17);/q;+1/p-1
    MOLECULAR FORMULA
    C13H18NNaO3
    CROSS REFERENCES
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    canSAR1768042

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 259.12
    AlogP -2.78
    HBond donors 1
    HBond acceptors 4
    Atoms 36
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1768042.