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canSAR1767199
FEATURES
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NAMES
    SMILES
    CCCOc1ccc(CNC=C2C(=O)NC(=O)c3ccc(I)cc32)[nH]c1=O
    InChI
    InChI=1S/C19H18IN3O4/c1-2-7-27-16-6-4-12(22-19(16)26)9-21-10-15-14-8-11(20)3-5-13(14)17(24)23-18(15)25/h3-6,8,10,21H,2,7,9H2,1H3,(H,22,26)(H,23,24,25)
    MOLECULAR FORMULA
    C19H18IN3O4
    CROSS REFERENCES
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    canSAR1767199

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 479.03
    AlogP 2.17
    HBond donors 3
    HBond acceptors 7
    Atoms 45
    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 canSAR1767199.