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canSAR1826454
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NAMES
    SMILES
    COC(=O)c1ccc2c(c1)C1C=CCC1C(c1ccc(C(=O)O)cc1)N2
    InChI
    InChI=1S/C21H19NO4/c1-26-21(25)14-9-10-18-17(11-14)15-3-2-4-16(15)19(22-18)12-5-7-13(8-6-12)20(23)24/h2-3,5-11,15-16,19,22H,4H2,1H3,(H,23,24)
    MOLECULAR FORMULA
    C21H19NO4
    CROSS REFERENCES
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    canSAR1826454

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 349.13
    AlogP 4.00
    HBond donors 2
    HBond acceptors 5
    Atoms 45
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1826454.