canSAR861154
FEATURES
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NAMES
    SMILES
    N[C@@H](CCC(=O)N[C@@H](CSC(=O)N(O)c1ccc(Br)cc1)C(=O)NCC(=O)O)C(=O)O
    InChI
    InChI=1S/C17H21BrN4O8S/c18-9-1-3-10(4-2-9)22(30)17(29)31-8-12(15(26)20-7-14(24)25)21-13(23)6-5-11(19)16(27)28/h1-4,11-12,30H,5-8,19H2,(H,20,26)(H,21,23)(H,24,25)(H,27,28)/t11-,12-/m0/s1
    MOLECULAR FORMULA
    C17H21BrN4O8S
    CROSS REFERENCES
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    canSAR861154
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight520.03
    AlogP0.38
    HBond donors7
    HBond acceptors12
    Atoms52
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR861154.