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canSAR1986520
FEATURES
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NAMES
    SMILES
    CCC(=O)N[C@H]1CC[C@@H](C(=O)N2CC[C@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)CC1
    InChI
    InChI=1S/C25H36N2O3/c1-5-22(29)26-17-11-9-16(10-12-17)23(30)27-14-13-25(4)19-7-6-8-20(28)18(19)15-21(27)24(25,2)3/h6-8,16-17,21,28H,5,9-15H2,1-4H3,(H,26,29)/t16-,17+,21-,25-/m1/s1
    MOLECULAR FORMULA
    C25H36N2O3
    CROSS REFERENCES
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    canSAR1986520

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 412.27
    AlogP 3.92
    HBond donors 2
    HBond acceptors 5
    Atoms 66
    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 canSAR1986520.