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canSAR560171
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NAMES
    SMILES
    Br.CCOC(=O)C1CCN(Cc2cc3nc(O)c(O)nc3cc2[N+](=O)[O-])CC1
    InChI
    InChI=1S/C17H20N4O6.BrH/c1-2-27-17(24)10-3-5-20(6-4-10)9-11-7-12-13(8-14(11)21(25)26)19-16(23)15(22)18-12;/h7-8,10H,2-6,9H2,1H3,(H,18,22)(H,19,23);1H
    MOLECULAR FORMULA
    C17H21BrN4O6
    CROSS REFERENCES
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    canSAR560171

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 456.06
    AlogP 2.30
    HBond donors 2
    HBond acceptors 10
    Atoms 49
    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 canSAR560171.