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canSAR77807
FEATURES
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NAMES
    SMILES
    COc1cc2c(cc1OC)-c1c(c3ccc([N+](=O)[O-])cc3c(=O)n1CCCN=[N+]=[N-])C2=O
    InChI
    InChI=1S/C21H17N5O6/c1-31-16-9-13-14(10-17(16)32-2)20(27)18-12-5-4-11(26(29)30)8-15(12)21(28)25(19(13)18)7-3-6-23-24-22/h4-5,8-10H,3,6-7H2,1-2H3
    MOLECULAR FORMULA
    C21H17N5O6
    CROSS REFERENCES
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    canSAR77807

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 435.12
    AlogP 3.84
    HBond donors 0
    HBond acceptors 11
    Atoms 49
    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 canSAR77807.