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canSAR671867
FEATURES
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NAMES
    SMILES
    CN1CCN(C(=O)c2ccc(-c3noc(-c4cc(O)c(O)c([N+](=O)[O-])c4)n3)cc2)CC1
    InChI
    InChI=1S/C20H19N5O6/c1-23-6-8-24(9-7-23)20(28)13-4-2-12(3-5-13)18-21-19(31-22-18)14-10-15(25(29)30)17(27)16(26)11-14/h2-5,10-11,26-27H,6-9H2,1H3
    MOLECULAR FORMULA
    C20H19N5O6
    CROSS REFERENCES
    671867 logo

    canSAR671867

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 425.13
    AlogP 2.11
    HBond donors 2
    HBond acceptors 11
    Atoms 50
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR671867.