canSAR1631863
FEATURES
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NAMES
    SMILES
    CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCCCC(=O)c3ccccc3)o2)c1
    InChI
    InChI=1S/C22H25N3O4S2/c1-3-25(4-2)31(27,28)19-13-8-12-18(16-19)21-23-24-22(29-21)30-15-9-14-20(26)17-10-6-5-7-11-17/h5-8,10-13,16H,3-4,9,14-15H2,1-2H3
    MOLECULAR FORMULA
    C22H25N3O4S2
    CROSS REFERENCES
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    canSAR1631863
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight459.13
    AlogP4.52
    HBond donors0
    HBond acceptors7
    Atoms56
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1631863.