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canSAR2019807
FEATURES
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NAMES
    SMILES
    COc1ccc(-c2c(=O)n(OCc3nc4ccccc4[nH]3)c3ccccc3[n+]2[O-])cc1
    InChI
    InChI=1S/C23H18N4O4/c1-30-16-12-10-15(11-13-16)22-23(28)27(20-9-5-4-8-19(20)26(22)29)31-14-21-24-17-6-2-3-7-18(17)25-21/h2-13H,14H2,1H3,(H,24,25)
    MOLECULAR FORMULA
    C23H18N4O4
    CROSS REFERENCES
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    canSAR2019807

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 414.13
    AlogP 2.82
    HBond donors 1
    HBond acceptors 8
    Atoms 49
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2019807.