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canSAR350080
FEATURES
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NAMES
    SMILES
    O=C1[C@H](CCCc2ccc(F)cc2)[C@@H](c2ccc(OS(=O)(=O)CC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)cc2)N1c1ccc(F)cc1
    InChI
    InChI=1S/C37H43F2NO14S/c38-21-8-4-19(5-9-21)2-1-3-25-29(40(36(25)48)23-12-10-22(39)11-13-23)20-6-14-24(15-7-20)54-55(49,50)18-28-31(44)33(46)35(27(17-42)51-28)53-37-34(47)32(45)30(43)26(16-41)52-37/h4-15,25-35,37,41-47H,1-3,16-18H2/t25-,26?,27?,28?,29-,30?,31?,32?,33?,34?,35?,37?/m1/s1
    MOLECULAR FORMULA
    C37H43F2NO14S
    CROSS REFERENCES
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    canSAR350080

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 795.24
    AlogP 0.07
    HBond donors 7
    HBond acceptors 15
    Atoms 98
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR350080.