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canSAR1494777
FEATURES
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NAMES
    SMILES
    COc1cc(C=NNC(=O)Cn2nc([N+](=O)[O-])cc2C)cc(Br)c1OCc1ccccc1
    InChI
    InChI=1S/C21H20BrN5O5/c1-14-8-19(27(29)30)25-26(14)12-20(28)24-23-11-16-9-17(22)21(18(10-16)31-2)32-13-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3,(H,24,28)
    MOLECULAR FORMULA
    C21H20BrN5O5
    CROSS REFERENCES
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    canSAR1494777

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 501.06
    AlogP 3.60
    HBond donors 1
    HBond acceptors 10
    Atoms 52
    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 canSAR1494777.