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canSAR1725179
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NAMES
    SMILES
    OC1CC(c2ccc(Cl)cc2)N(Cc2cccs2)CC1n1cc(C2CC2)nn1
    InChI
    InChI=1S/C21H23ClN4OS/c22-16-7-5-15(6-8-16)19-10-21(27)20(13-25(19)11-17-2-1-9-28-17)26-12-18(23-24-26)14-3-4-14/h1-2,5-9,12,14,19-21,27H,3-4,10-11,13H2
    MOLECULAR FORMULA
    C21H23ClN4OS
    CROSS REFERENCES
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    canSAR1725179

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 414.13
    AlogP 4.42
    HBond donors 1
    HBond acceptors 5
    Atoms 51
    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 canSAR1725179.