canSAR539870
FEATURES
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NAMES
    SMILES
    Cl.O=S1(=O)N=C(NCCCOc2cccc(CN3CCCC3)c2)c2cscc21
    InChI
    InChI=1S/C19H23N3O3S2.ClH/c23-27(24)18-14-26-13-17(18)19(21-27)20-7-4-10-25-16-6-3-5-15(11-16)12-22-8-1-2-9-22;/h3,5-6,11,13-14H,1-2,4,7-10,12H2,(H,20,21);1H
    MOLECULAR FORMULA
    C19H24ClN3O3S2
    CROSS REFERENCES
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    canSAR539870
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight441.09
    AlogP3.27
    HBond donors1
    HBond acceptors6
    Atoms52
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR539870.