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canSAR1066753
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NAMES
    SMILES
    Cc1cc(C)cc(COC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccc2)c1
    InChI
    InChI=1S/C27H26N2O3/c1-18-12-19(2)14-20(13-18)17-32-27(31)25(29-26(30)21-8-4-3-5-9-21)15-22-16-28-24-11-7-6-10-23(22)24/h3-14,16,25,28H,15,17H2,1-2H3,(H,29,30)/t25-/m1/s1
    MOLECULAR FORMULA
    C27H26N2O3
    CROSS REFERENCES
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    canSAR1066753

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 426.19
    AlogP 4.87
    HBond donors 2
    HBond acceptors 5
    Atoms 58
    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 canSAR1066753.