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canSAR1151622
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NAMES
    SMILES
    CCCCCCC(Sc1nc(Cl)cc(Nc2nc(-c3ccc(Br)cc3)c(C)s2)n1)C(=O)O
    InChI
    InChI=1S/C22H24BrClN4O2S2/c1-3-4-5-6-7-16(20(29)30)32-21-25-17(24)12-18(26-21)27-22-28-19(13(2)31-22)14-8-10-15(23)11-9-14/h8-12,16H,3-7H2,1-2H3,(H,29,30)(H,25,26,27,28)
    MOLECULAR FORMULA
    C22H24BrClN4O2S2
    CROSS REFERENCES
    1151622 logo

    canSAR1151622

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 554.02
    AlogP 7.58
    HBond donors 2
    HBond acceptors 6
    Atoms 56
    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 canSAR1151622.