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canSAR2208765
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NAMES
    SMILES
    Cn1ncc(NC(=O)c2csc(-c3cc(Br)ccc3F)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1
    InChI
    InChI=1S/C20H20BrF2N5O2S/c1-28-18(17-5-4-14(24)13(23)8-30-17)15(7-25-28)26-19(29)16-9-31-20(27-16)11-6-10(21)2-3-12(11)22/h2-3,6-7,9,13-14,17H,4-5,8,24H2,1H3,(H,26,29)/t13-,14-,17+/m1/s1
    MOLECULAR FORMULA
    C20H20BrF2N5O2S
    CROSS REFERENCES
    2208765 logo

    canSAR2208765

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 511.05
    AlogP 4.21
    HBond donors 3
    HBond acceptors 7
    Atoms 51
    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 canSAR2208765.