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canSAR2021136
FEATURES
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NAMES
    SMILES
    COc1ccc(C=NNC(=O)c2ccc(Cn3cc(Br)c([N+](=O)[O-])n3)o2)c(OC)c1C
    InChI
    InChI=1S/C19H18BrN5O6/c1-11-15(29-2)6-4-12(17(11)30-3)8-21-22-19(26)16-7-5-13(31-16)9-24-10-14(20)18(23-24)25(27)28/h4-8,10H,9H2,1-3H3,(H,22,26)
    MOLECULAR FORMULA
    C19H18BrN5O6
    CROSS REFERENCES
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    canSAR2021136

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 491.04
    AlogP 3.28
    HBond donors 1
    HBond acceptors 11
    Atoms 49
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2021136.