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canSAR1688630
FEATURES
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NAMES
    SMILES
    CNC(C(=O)c1ccccc1)C(OC(C)=O)c1cccc([N+](=O)[O-])c1.[O-][Cl+3]([O-])([O-])O
    InChI
    InChI=1S/C18H18N2O5.ClHO4/c1-12(21)25-18(14-9-6-10-15(11-14)20(23)24)16(19-2)17(22)13-7-4-3-5-8-13;2-1(3,4)5/h3-11,16,18-19H,1-2H3;(H,2,3,4,5)
    MOLECULAR FORMULA
    C18H19ClN2O9
    CROSS REFERENCES
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    canSAR1688630

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 442.08
    AlogP -1.45
    HBond donors 2
    HBond acceptors 11
    Atoms 49
    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 canSAR1688630.