canSAR1387745
FEATURES
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NAMES
    SMILES
    CC(=O)NC(CSCCCC/C=C(\NC(=O)[C@H]1CC1(C)C)C(=O)O)C(=O)[O-]
    InChI
    InChI=1S/C18H28N2O6S/c1-11(21)19-14(17(25)26)10-27-8-6-4-5-7-13(16(23)24)20-15(22)12-9-18(12,2)3/h7,12,14H,4-6,8-10H2,1-3H3,(H,19,21)(H,20,22)(H,23,24)(H,25,26)/p-1/b13-7-/t12-,14?/m1/s1
    MOLECULAR FORMULA
    C18H27N2O6S-
    CROSS REFERENCES
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    canSAR1387745
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight399.16
    AlogP0.28
    HBond donors3
    HBond acceptors8
    Atoms54
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1387745.