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canSAR1093151
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NAMES
    SMILES
    CC(C)(C)c1ccc(/C=C/C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC(C)(C)c2ccccc2)cc1
    InChI
    InChI=1S/C32H40N2O2/c1-31(2,3)26-19-16-24(17-20-26)18-21-30(36)34-28(22-25-12-8-6-9-13-25)29(35)23-33-32(4,5)27-14-10-7-11-15-27/h6-21,28-29,33,35H,22-23H2,1-5H3,(H,34,36)/b21-18+/t28-,29+/m0/s1
    MOLECULAR FORMULA
    C32H40N2O2
    CROSS REFERENCES
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    canSAR1093151

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 484.31
    AlogP 5.61
    HBond donors 3
    HBond acceptors 4
    Atoms 76
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1093151.