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canSAR2083872
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NAMES
    SMILES
    COC(=O)[C@@H](Cc1ccc[n+]([O-])c1)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@H]21
    InChI
    InChI=1S/C29H38N2O4/c1-19(2)21-9-11-23-22(17-21)10-12-25-28(23,3)13-7-14-29(25,4)27(33)30-24(26(32)35-5)16-20-8-6-15-31(34)18-20/h6,8-9,11,15,17-19,24-25H,7,10,12-14,16H2,1-5H3,(H,30,33)/t24-,25-,28-,29-/m1/s1
    MOLECULAR FORMULA
    C29H38N2O4
    CROSS REFERENCES
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    canSAR2083872

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 478.28
    AlogP 4.35
    HBond donors 1
    HBond acceptors 6
    Atoms 73
    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 canSAR2083872.