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canSAR1722100
FEATURES
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NAMES
    SMILES
    CC(=NNC(=O)CNC(=O)C1COc2ccccc2O1)c1ccc([N+](=O)[O-])cc1
    InChI
    InChI=1S/C19H18N4O6/c1-12(13-6-8-14(9-7-13)23(26)27)21-22-18(24)10-20-19(25)17-11-28-15-4-2-3-5-16(15)29-17/h2-9,17H,10-11H2,1H3,(H,20,25)(H,22,24)
    MOLECULAR FORMULA
    C19H18N4O6
    CROSS REFERENCES
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    canSAR1722100

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 398.12
    AlogP 1.39
    HBond donors 2
    HBond acceptors 10
    Atoms 47
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1722100.