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canSAR1721269
FEATURES
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NAMES
    SMILES
    CC(C)CC1Oc2ccc(Br)cc2C2(COC(N)=N2)C12COC2
    InChI
    InChI=1S/C17H21BrN2O3/c1-10(2)5-14-16(7-21-8-16)17(9-22-15(19)20-17)12-6-11(18)3-4-13(12)23-14/h3-4,6,10,14H,5,7-9H2,1-2H3,(H2,19,20)
    MOLECULAR FORMULA
    C17H21BrN2O3
    CROSS REFERENCES
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    canSAR1721269

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 380.07
    AlogP 2.81
    HBond donors 2
    HBond acceptors 5
    Atoms 44
    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 canSAR1721269.