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canSAR1999187
FEATURES
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NAMES
    SMILES
    O=C(C[C@@H]1C[C@H]2c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3O[C@H]2[C@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1
    InChI
    InChI=1S/C33H31FN2O7S/c34-22-8-13-27(14-9-22)44(39,40)36-23-10-15-30-28(16-23)29-17-26(42-31(20-37)33(29)43-30)18-32(38)35-19-21-6-11-25(12-7-21)41-24-4-2-1-3-5-24/h1-16,26,29,31,33,36-37H,17-20H2,(H,35,38)/t26-,29-,31-,33+/m0/s1
    MOLECULAR FORMULA
    C33H31FN2O7S
    CROSS REFERENCES
    1999187 logo

    canSAR1999187

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 618.18
    AlogP 5.12
    HBond donors 3
    HBond acceptors 9
    Atoms 75
    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 canSAR1999187.