canSAR419289
FEATURES
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NAMES
    SMILES
    CCCCCCCCCCCCCCCCCCNC(=O)[C@H]1CSC(c2cccnc2)N1
    InChI
    InChI=1S/C27H47N3OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-29-26(31)25-23-32-27(30-25)24-19-18-20-28-22-24/h18-20,22,25,27,30H,2-17,21,23H2,1H3,(H,29,31)/t25-,27?/m1/s1
    MOLECULAR FORMULA
    C27H47N3OS
    CROSS REFERENCES
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    canSAR419289
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight461.34
    AlogP7.16
    HBond donors2
    HBond acceptors4
    Atoms79
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR419289.