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canSAR1128954
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NAMES
    SMILES
    Clc1ccc(/C=N/c2sc3c(c2-c2nc4ccccc4s2)CCC3)cc1
    InChI
    InChI=1S/C21H15ClN2S2/c22-14-10-8-13(9-11-14)12-23-20-19(15-4-3-7-17(15)25-20)21-24-16-5-1-2-6-18(16)26-21/h1-2,5-6,8-12H,3-4,7H2/b23-12+
    MOLECULAR FORMULA
    C21H15ClN2S2
    CROSS REFERENCES
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    canSAR1128954

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 394.04
    AlogP 6.92
    HBond donors 0
    HBond acceptors 2
    Atoms 41
    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 canSAR1128954.