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canSAR2096081
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NAMES
    SMILES
    Cc1ccc(C(=O)OCc2ccc(C(CN)C(=O)Nc3ccc4cnccc4c3)cc2)c(C)c1
    InChI
    InChI=1S/C28H27N3O3/c1-18-3-10-25(19(2)13-18)28(33)34-17-20-4-6-21(7-5-20)26(15-29)27(32)31-24-9-8-23-16-30-12-11-22(23)14-24/h3-14,16,26H,15,17,29H2,1-2H3,(H,31,32)
    MOLECULAR FORMULA
    C28H27N3O3
    CROSS REFERENCES
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    canSAR2096081

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 453.21
    AlogP 4.89
    HBond donors 3
    HBond acceptors 6
    Atoms 61
    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 canSAR2096081.