canSAR1083802
FEATURES
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NAMES
    SMILES
    CCCCCC(=O)NCC(C)(C)CC1=C(O)C(=O)c2ccccc2C1=O
    InChI
    InChI=1S/C21H27NO4/c1-4-5-6-11-17(23)22-13-21(2,3)12-16-18(24)14-9-7-8-10-15(14)19(25)20(16)26/h7-10,26H,4-6,11-13H2,1-3H3,(H,22,23)
    MOLECULAR FORMULA
    C21H27NO4
    CROSS REFERENCES
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    canSAR1083802
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight357.19
    AlogP3.99
    HBond donors2
    HBond acceptors5
    Atoms53
    Contains toxicophoreNo
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1083802.