canSAR2096163
FEATURES
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NAMES
    SMILES
    Cc1cc(C[C@@H]2COC[C@H]2NCc2ccc(Br)s2)on1.O=C(O)CC(O)(CC(=O)O)C(=O)O
    InChI
    InChI=1S/C14H17BrN2O2S.C6H8O7/c1-9-4-11(19-17-9)5-10-7-18-8-13(10)16-6-12-2-3-14(15)20-12;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-4,10,13,16H,5-8H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t10-,13-;/m1./s1
    MOLECULAR FORMULA
    C20H25BrN2O9S
    CROSS REFERENCES
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    canSAR2096163
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight548.05
    AlogP1.91
    HBond donors5
    HBond acceptors11
    Atoms58
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2096163.