canSAR2093163
FEATURES
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NAMES
    SMILES
    C[C@]12C=CC(=O)C=C1C[C@@H](CCCc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12
    InChI
    InChI=1S/C28H33NO4/c1-27-14-12-22(30)17-20(27)16-19(5-3-4-18-6-8-21(9-7-18)29(32)33)26-23-10-11-25(31)28(23,2)15-13-24(26)27/h6-9,12,14,17,19,23-24,26H,3-5,10-11,13,15-16H2,1-2H3/t19-,23+,24+,26+,27+,28+/m1/s1
    MOLECULAR FORMULA
    C28H33NO4
    CROSS REFERENCES
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    canSAR2093163
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight447.24
    AlogP6.02
    HBond donors0
    HBond acceptors5
    Atoms66
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2093163.