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canSAR645746
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NAMES
    SMILES
    Br.CCC1=C(C)/C(=C/c2[nH]c(CBr)c(CC)c2C)N=C1CBr
    InChI
    InChI=1S/C17H22Br2N2.BrH/c1-5-12-10(3)14(20-16(12)8-18)7-15-11(4)13(6-2)17(9-19)21-15;/h7,20H,5-6,8-9H2,1-4H3;1H/b15-7-;
    MOLECULAR FORMULA
    C17H23Br3N2
    CROSS REFERENCES
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    canSAR645746

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 491.94
    AlogP 6.28
    HBond donors 1
    HBond acceptors 2
    Atoms 45
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR645746.