canSAR1808689
FEATURES
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NAMES
    SMILES
    Cc1cc(OCC(=O)N2CCC[C@@H]2C(=O)O)c2c(C)c(C)c(=O)oc2c1
    InChI
    InChI=1S/C19H21NO6/c1-10-7-14(17-11(2)12(3)19(24)26-15(17)8-10)25-9-16(21)20-6-4-5-13(20)18(22)23/h7-8,13H,4-6,9H2,1-3H3,(H,22,23)/t13-/m1/s1
    MOLECULAR FORMULA
    C19H21NO6
    CROSS REFERENCES
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    canSAR1808689
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight359.14
    AlogP2.17
    HBond donors1
    HBond acceptors7
    Atoms47
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1808689.