canSAR2149138
FEATURES
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NAMES
    SMILES
    Cc1ccc2ccccc2c1NC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1
    InChI
    InChI=1S/C32H24N4OS/c1-21-13-14-22-8-2-3-10-25(22)31(21)34-32(37)27-11-4-5-12-30(27)38-24-16-17-26-28(35-36-29(26)20-24)18-15-23-9-6-7-19-33-23/h2-20H,1H3,(H,34,37)(H,35,36)/b18-15+
    MOLECULAR FORMULA
    C32H24N4OS
    CROSS REFERENCES
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    canSAR2149138
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight512.17
    AlogP7.99
    HBond donors2
    HBond acceptors5
    Atoms62
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2149138.