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canSAR1689223
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NAMES
    SMILES
    CC(C)(C)[C@H](Nc1ccc(C#N)c2ccccc12)C(=O)NC1(Cc2ccc(O)cc2)CCCC1
    InChI
    InChI=1S/C29H33N3O2/c1-28(2,3)26(31-25-15-12-21(19-30)23-8-4-5-9-24(23)25)27(34)32-29(16-6-7-17-29)18-20-10-13-22(33)14-11-20/h4-5,8-15,26,31,33H,6-7,16-18H2,1-3H3,(H,32,34)
    MOLECULAR FORMULA
    C29H33N3O2
    CROSS REFERENCES
    1689223 logo

    canSAR1689223

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 455.26
    AlogP 5.92
    HBond donors 3
    HBond acceptors 5
    Atoms 67
    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 canSAR1689223.