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canSAR1726438
FEATURES
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NAMES
    SMILES
    CCN(C)C(=O)Oc1cccc([C@H](C)N(C)C)c1.O=C(O)[C@@H](O)[C@H](O)C(=O)O
    InChI
    InChI=1S/C14H22N2O2.C4H6O6/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4;5-1(3(7)8)2(6)4(9)10/h7-11H,6H2,1-5H3;1-2,5-6H,(H,7,8)(H,9,10)/t11-;1-,2-/m00/s1
    MOLECULAR FORMULA
    C18H28N2O8
    CROSS REFERENCES
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    canSAR1726438

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 400.18
    AlogP 0.64
    HBond donors 4
    HBond acceptors 10
    Atoms 56
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1726438.