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canSAR1021038
FEATURES
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NAMES
    SMILES
    COc1cc(/C=N/NC(=O)C(OC)c2ccc(-n3cnnn3)cc2)cc(OC)c1Br
    InChI
    InChI=1S/C19H19BrN6O4/c1-28-15-8-12(9-16(29-2)17(15)20)10-21-23-19(27)18(30-3)13-4-6-14(7-5-13)26-11-22-24-25-26/h4-11,18H,1-3H3,(H,23,27)/b21-10+
    MOLECULAR FORMULA
    C19H19BrN6O4
    CROSS REFERENCES
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    canSAR1021038

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 474.07
    AlogP 2.28
    HBond donors 1
    HBond acceptors 10
    Atoms 49
    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 canSAR1021038.