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canSAR992751
FEATURES
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NAMES
    SMILES
    COc1cc(/C=C/C(=O)/C=C/c2nc3c(C)cccc3n2C)ccc1O
    InChI
    InChI=1S/C21H20N2O3/c1-14-5-4-6-17-21(14)22-20(23(17)2)12-10-16(24)9-7-15-8-11-18(25)19(13-15)26-3/h4-13,25H,1-3H3/b9-7+,12-10+
    MOLECULAR FORMULA
    C21H20N2O3
    CROSS REFERENCES
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    canSAR992751

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 348.15
    AlogP 3.89
    HBond donors 1
    HBond acceptors 5
    Atoms 46
    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 canSAR992751.