canSAR2080121
FEATURES
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NAMES
    SMILES
    Cc1nc(NC(C)c2cccc(-c3ccsc3)c2)cc(-c2ccc3occ(C)c3c2)n1
    InChI
    InChI=1S/C26H23N3OS/c1-16-14-30-25-8-7-21(12-23(16)25)24-13-26(29-18(3)28-24)27-17(2)19-5-4-6-20(11-19)22-9-10-31-15-22/h4-15,17H,1-3H3,(H,27,28,29)
    MOLECULAR FORMULA
    C26H23N3OS
    CROSS REFERENCES
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    canSAR2080121
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight425.16
    AlogP7.41
    HBond donors1
    HBond acceptors4
    Atoms54
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2080121.