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canSAR114225
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NAMES
    SMILES
    COCCN(CCO)c1nc(C)nc2c1nnn2-c1ccc(C(C)C)cc1Br
    InChI
    InChI=1S/C19H25BrN6O2/c1-12(2)14-5-6-16(15(20)11-14)26-19-17(23-24-26)18(21-13(3)22-19)25(7-9-27)8-10-28-4/h5-6,11-12,27H,7-10H2,1-4H3
    MOLECULAR FORMULA
    C19H25BrN6O2
    CROSS REFERENCES
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    canSAR114225

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 448.12
    AlogP 2.85
    HBond donors 1
    HBond acceptors 8
    Atoms 53
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR114225.