canSAR381594
FEATURES
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NAMES
    SMILES
    C=C(C)[C@H](C(=O)OC(C)(C)C)N1C(=O)/C(=C/C(=O)OC(C)(C)C)[C@H]1SSc1nc2ccccc2s1
    InChI
    InChI=1S/C25H30N2O5S3/c1-14(2)19(22(30)32-25(6,7)8)27-20(29)15(13-18(28)31-24(3,4)5)21(27)34-35-23-26-16-11-9-10-12-17(16)33-23/h9-13,19,21H,1H2,2-8H3/b15-13-/t19-,21-/m1/s1
    MOLECULAR FORMULA
    C25H30N2O5S3
    CROSS REFERENCES
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    canSAR381594
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight534.13
    AlogP5.76
    HBond donors0
    HBond acceptors7
    Atoms65
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR381594.