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canSAR466119
FEATURES
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NAMES
    SMILES
    CCOC(=O)c1cnc2c(c1Cl)C(=O)c1c(-c3ccccc3[N+](=O)[O-])ccnc1C2=O
    InChI
    InChI=1S/C21H12ClN3O6/c1-2-31-21(28)12-9-24-18-15(16(12)22)19(26)14-11(7-8-23-17(14)20(18)27)10-5-3-4-6-13(10)25(29)30/h3-9H,2H2,1H3
    MOLECULAR FORMULA
    C21H12ClN3O6
    CROSS REFERENCES
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    canSAR466119

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 437.04
    AlogP 3.66
    HBond donors 0
    HBond acceptors 9
    Atoms 43
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR466119.