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canSAR559991
FEATURES
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NAMES
    SMILES
    O/C=C/O.O=C(NCCNCC(O)COc1ccccc1)c1ccc(O)c(O)c1
    InChI
    InChI=1S/C18H22N2O5.C2H4O2/c21-14(12-25-15-4-2-1-3-5-15)11-19-8-9-20-18(24)13-6-7-16(22)17(23)10-13;3-1-2-4/h1-7,10,14,19,21-23H,8-9,11-12H2,(H,20,24);1-4H/b;2-1+
    MOLECULAR FORMULA
    C20H26N2O7
    CROSS REFERENCES
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    canSAR559991

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 406.17
    AlogP 1.43
    HBond donors 7
    HBond acceptors 9
    Atoms 55
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR559991.