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canSAR1588621
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NAMES
    SMILES
    Cl.Clc1ccccc1CSc1nnc([C@@H]2CCCN2)o1
    InChI
    InChI=1S/C13H14ClN3OS.ClH/c14-10-5-2-1-4-9(10)8-19-13-17-16-12(18-13)11-6-3-7-15-11;/h1-2,4-5,11,15H,3,6-8H2;1H/t11-;/m0./s1
    MOLECULAR FORMULA
    C13H15Cl2N3OS
    CROSS REFERENCES
    1588621 logo

    canSAR1588621

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 331.03
    AlogP 3.86
    HBond donors 1
    HBond acceptors 4
    Atoms 35
    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 canSAR1588621.