canSAR1746131
FEATURES
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NAMES
    SMILES
    CCCc1ccccc1NC(=O)[C@H](COC(C)(C)C)NC(=O)c1ccc(C=C2SC(S)=NC2=O)cc1
    InChI
    InChI=1S/C27H31N3O4S2/c1-5-8-18-9-6-7-10-20(18)28-24(32)21(16-34-27(2,3)4)29-23(31)19-13-11-17(12-14-19)15-22-25(33)30-26(35)36-22/h6-7,9-15,21H,5,8,16H2,1-4H3,(H,28,32)(H,29,31)(H,30,33,35)/t21-/m0/s1
    MOLECULAR FORMULA
    C27H31N3O4S2
    CROSS REFERENCES
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    canSAR1746131
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight525.18
    AlogP5.09
    HBond donors2
    HBond acceptors7
    Atoms67
    Contains toxicophoreYes
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1746131.