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canSAR148961
FEATURES
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NAMES
    SMILES
    O=C(NCc1cccc(Br)c1)OCc1cn(-c2cc3nc(C(=O)O)c(O)nc3cc2[N+](=O)[O-])cn1
    InChI
    InChI=1S/C21H15BrN6O7/c22-12-3-1-2-11(4-12)7-23-21(32)35-9-13-8-27(10-24-13)16-5-14-15(6-17(16)28(33)34)26-19(29)18(25-14)20(30)31/h1-6,8,10H,7,9H2,(H,23,32)(H,26,29)(H,30,31)
    MOLECULAR FORMULA
    C21H15BrN6O7
    CROSS REFERENCES
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    canSAR148961

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 542.02
    AlogP 3.32
    HBond donors 3
    HBond acceptors 13
    Atoms 50
    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 canSAR148961.