canSAR1585471
FEATURES
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NAMES
    SMILES
    CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCc2ccco2)c1
    InChI
    InChI=1S/C28H27N5O4S/c1-3-32(4-2)38(35,36)26-14-8-10-21(17-26)27-23(20-33(31-27)24-11-6-5-7-12-24)16-22(18-29)28(34)30-19-25-13-9-15-37-25/h5-17,20H,3-4,19H2,1-2H3,(H,30,34)/b22-16+
    MOLECULAR FORMULA
    C28H27N5O4S
    CROSS REFERENCES
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    canSAR1585471
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight529.18
    AlogP4.39
    HBond donors1
    HBond acceptors9
    Atoms65
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1585471.