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canSAR1067117
FEATURES
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NAMES
    SMILES
    CCCC(C(=O)O)c1c(C)nc2ccc(Cl)cc2c1-c1ccccc1
    InChI
    InChI=1S/C21H20ClNO2/c1-3-7-16(21(24)25)19-13(2)23-18-11-10-15(22)12-17(18)20(19)14-8-5-4-6-9-14/h4-6,8-12,16H,3,7H2,1-2H3,(H,24,25)
    MOLECULAR FORMULA
    C21H20ClNO2
    CROSS REFERENCES
    1067117 logo

    canSAR1067117

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 353.12
    AlogP 5.83
    HBond donors 1
    HBond acceptors 3
    Atoms 45
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1067117.