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canSAR1107451
FEATURES
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NAMES
    SMILES
    O=[N+]([O-])c1cc(/C=N/c2ccc3nc(SCc4ccc(Br)cc4)sc3c2)ccc1O
    InChI
    InChI=1S/C21H14BrN3O3S2/c22-15-4-1-13(2-5-15)12-29-21-24-17-7-6-16(10-20(17)30-21)23-11-14-3-8-19(26)18(9-14)25(27)28/h1-11,26H,12H2/b23-11+
    MOLECULAR FORMULA
    C21H14BrN3O3S2
    CROSS REFERENCES
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    canSAR1107451

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 498.97
    AlogP 6.72
    HBond donors 1
    HBond acceptors 6
    Atoms 44
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1107451.