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canSAR1984443
FEATURES
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NAMES
    SMILES
    O=C(O)C(=O)O.O=C(c1ccco1)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1
    InChI
    InChI=1S/C16H17N3O4.C2H2O4/c20-16(15-5-2-10-23-15)18-8-6-17(7-9-18)12-13-3-1-4-14(11-13)19(21)22;3-1(4)2(5)6/h1-5,10-11H,6-9,12H2;(H,3,4)(H,5,6)
    MOLECULAR FORMULA
    C18H19N3O8
    CROSS REFERENCES
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    canSAR1984443

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 405.12
    AlogP 1.30
    HBond donors 2
    HBond acceptors 11
    Atoms 48
    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 canSAR1984443.