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canSAR1689176
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NAMES
    SMILES
    CC(C)=CCCC(C)=CCN1C(=O)C2(OC(C)CC3=CCCC32)c2c(Br)cccc21
    InChI
    InChI=1S/C26H32BrNO2/c1-17(2)8-5-9-18(3)14-15-28-23-13-7-12-22(27)24(23)26(25(28)29)21-11-6-10-20(21)16-19(4)30-26/h7-8,10,12-14,19,21H,5-6,9,11,15-16H2,1-4H3
    MOLECULAR FORMULA
    C26H32BrNO2
    CROSS REFERENCES
    1689176 logo

    canSAR1689176

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 469.16
    AlogP 6.83
    HBond donors 0
    HBond acceptors 3
    Atoms 62
    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 canSAR1689176.