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canSAR1721713
FEATURES
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NAMES
    SMILES
    COc1ccc(C)cc1C(=O)C1CC(C(=O)O)C(C)(C)C1C
    InChI
    InChI=1S/C18H24O4/c1-10-6-7-15(22-5)13(8-10)16(19)12-9-14(17(20)21)18(3,4)11(12)2/h6-8,11-12,14H,9H2,1-5H3,(H,20,21)
    MOLECULAR FORMULA
    C18H24O4
    CROSS REFERENCES
    1721713 logo

    canSAR1721713

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 304.17
    AlogP 3.57
    HBond donors 1
    HBond acceptors 4
    Atoms 46
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1721713.