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canSAR1132007
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NAMES
    SMILES
    NCCc1c(SSc2[nH]c3cc(Br)ccc3c2CCN)[nH]c2cc(Br)ccc12
    InChI
    InChI=1S/C20H20Br2N4S2/c21-11-1-3-13-15(5-7-23)19(25-17(13)9-11)27-28-20-16(6-8-24)14-4-2-12(22)10-18(14)26-20/h1-4,9-10,25-26H,5-8,23-24H2
    MOLECULAR FORMULA
    C20H20Br2N4S2
    CROSS REFERENCES
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    canSAR1132007

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 537.95
    AlogP 5.98
    HBond donors 6
    HBond acceptors 4
    Atoms 48
    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 canSAR1132007.