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canSAR1521808
FEATURES
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NAMES
    SMILES
    C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2O[C@H](C)CCCCO[C@@H]1CN(C)C(=O)Nc1ccc(C(F)(F)F)cc1
    InChI
    InChI=1S/C36H44ClF3N4O7S/c1-23-20-44(24(2)22-45)34(46)31-19-29(42-52(48,49)30-15-10-27(37)11-16-30)14-17-32(31)51-25(3)7-5-6-18-50-33(23)21-43(4)35(47)41-28-12-8-26(9-13-28)36(38,39)40/h8-17,19,23-25,33,42,45H,5-7,18,20-22H2,1-4H3,(H,41,47)/t23-,24+,25+,33+/m0/s1
    MOLECULAR FORMULA
    C36H44ClF3N4O7S
    CROSS REFERENCES
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    canSAR1521808

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 768.26
    AlogP 7.12
    HBond donors 3
    HBond acceptors 11
    Atoms 96
    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 canSAR1521808.