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canSAR1620952
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NAMES
    SMILES
    O=C(NCCc1nc2ccccc2[nH]1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
    InChI
    InChI=1S/C16H13N5O5/c22-16(10-7-11(20(23)24)9-12(8-10)21(25)26)17-6-5-15-18-13-3-1-2-4-14(13)19-15/h1-4,7-9H,5-6H2,(H,17,22)(H,18,19)
    MOLECULAR FORMULA
    C16H13N5O5
    CROSS REFERENCES
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    canSAR1620952

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 355.09
    AlogP 2.35
    HBond donors 2
    HBond acceptors 10
    Atoms 39
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1620952.