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canSAR1690154
FEATURES
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NAMES
    SMILES
    C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2O[C@@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1
    InChI
    InChI=1S/C35H38FN3O6S/c1-24-20-39(25(2)23-40)35(41)32-19-28(37-46(42,43)31-16-11-27(36)12-17-31)13-18-33(32)45-34(24)22-38(3)21-26-9-14-30(15-10-26)44-29-7-5-4-6-8-29/h4-19,24-25,34,37,40H,20-23H2,1-3H3/t24-,25-,34+/m0/s1
    MOLECULAR FORMULA
    C35H38FN3O6S
    CROSS REFERENCES
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    canSAR1690154

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 647.25
    AlogP 5.77
    HBond donors 2
    HBond acceptors 9
    Atoms 84
    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 canSAR1690154.