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canSAR2281438
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NAMES
    SMILES
    CCN1CCc2c(sc(NC(=O)Nc3cccc(Cl)c3Cl)c2C(N)=O)C1.Cl
    InChI
    InChI=1S/C17H18Cl2N4O2S.ClH/c1-2-23-7-6-9-12(8-23)26-16(13(9)15(20)24)22-17(25)21-11-5-3-4-10(18)14(11)19;/h3-5H,2,6-8H2,1H3,(H2,20,24)(H2,21,22,25);1H
    MOLECULAR FORMULA
    C17H19Cl3N4O2S
    CROSS REFERENCES
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    canSAR2281438

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 448.03
    AlogP 4.60
    HBond donors 4
    HBond acceptors 6
    Atoms 46
    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 canSAR2281438.