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canSAR1521983
FEATURES
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NAMES
    SMILES
    CNCCCOc1ccc(C)cc1OC.O=C(O)C(=O)O
    InChI
    InChI=1S/C12H19NO2.C2H2O4/c1-10-5-6-11(12(9-10)14-3)15-8-4-7-13-2;3-1(4)2(5)6/h5-6,9,13H,4,7-8H2,1-3H3;(H,3,4)(H,5,6)
    MOLECULAR FORMULA
    C14H21NO6
    CROSS REFERENCES
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    canSAR1521983

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 299.14
    AlogP 1.15
    HBond donors 3
    HBond acceptors 7
    Atoms 42
    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 canSAR1521983.