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canSAR1204547
FEATURES
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NAMES
    SMILES
    NCCC(=O)N[C@@H](CSCc1ccc(Br)cc1)C(=O)NCC(=O)O
    InChI
    InChI=1S/C15H20BrN3O4S/c16-11-3-1-10(2-4-11)8-24-9-12(19-13(20)5-6-17)15(23)18-7-14(21)22/h1-4,12H,5-9,17H2,(H,18,23)(H,19,20)(H,21,22)/t12-/m0/s1
    MOLECULAR FORMULA
    C15H20BrN3O4S
    CROSS REFERENCES
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    canSAR1204547

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 417.04
    AlogP 0.72
    HBond donors 5
    HBond acceptors 7
    Atoms 44
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1204547.