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canSAR1617932
FEATURES
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NAMES
    SMILES
    O=C(CNC(=O)c1ccccc1Br)N/[NH+]=C/[c-]1cc([N+](=O)[O-])cc(Br)c1=O
    InChI
    InChI=1S/C16H11Br2N4O5/c17-12-4-2-1-3-11(12)16(25)19-8-14(23)21-20-7-9-5-10(22(26)27)6-13(18)15(9)24/h1-7H,8H2,(H,19,25)(H,21,23)/q-1/p+1/b20-7+
    MOLECULAR FORMULA
    C16H12Br2N4O5
    CROSS REFERENCES
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    canSAR1617932

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 497.92
    AlogP 0.16
    HBond donors 3
    HBond acceptors 9
    Atoms 39
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1617932.