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canSAR1092018
FEATURES
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NAMES
    SMILES
    COc1ccc(N(C)c2nc(Cl)ccc2C(=O)OC(C)C)cc1
    InChI
    InChI=1S/C17H19ClN2O3/c1-11(2)23-17(21)14-9-10-15(18)19-16(14)20(3)12-5-7-13(22-4)8-6-12/h5-11H,1-4H3
    MOLECULAR FORMULA
    C17H19ClN2O3
    CROSS REFERENCES
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    canSAR1092018

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 334.11
    AlogP 4.08
    HBond donors 0
    HBond acceptors 5
    Atoms 42
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1092018.