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canSAR1500956
FEATURES
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NAMES
    SMILES
    COc1ccc(/C=N/NC(=O)c2cc(O)c(O)c(O)c2)cc1Cn1cc([N+](=O)[O-])cn1
    InChI
    InChI=1S/C19H17N5O7/c1-31-17-3-2-11(4-13(17)9-23-10-14(8-21-23)24(29)30)7-20-22-19(28)12-5-15(25)18(27)16(26)6-12/h2-8,10,25-27H,9H2,1H3,(H,22,28)/b20-7+
    MOLECULAR FORMULA
    C19H17N5O7
    CROSS REFERENCES
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    canSAR1500956

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 427.11
    AlogP 1.73
    HBond donors 4
    HBond acceptors 12
    Atoms 48
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1500956.