canSAR1631748
FEATURES
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NAMES
    SMILES
    COc1ccc(OCc2n(CC(=O)OC3CC(C)CCC3C(C)C)c3ccccc3[n+]2C)cc1
    InChI
    InChI=1S/C28H37N2O4/c1-19(2)23-15-10-20(3)16-26(23)34-28(31)17-30-25-9-7-6-8-24(25)29(4)27(30)18-33-22-13-11-21(32-5)12-14-22/h6-9,11-14,19-20,23,26H,10,15-18H2,1-5H3/q+1
    MOLECULAR FORMULA
    C28H37N2O4+
    CROSS REFERENCES
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    canSAR1631748
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight465.27
    AlogP5.06
    HBond donors0
    HBond acceptors6
    Atoms71
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1631748.