canSAR1746378
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
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    canSAR1746378
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight618.18
    AlogP5.12
    HBond donors3
    HBond acceptors9
    Atoms75
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1746378.