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canSAR2000356
FEATURES
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NAMES
    SMILES
    C[C@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)c3ccc(-c4nccs4)cc3)c2O[C@@H]1CN(C)C(=O)Nc1ccc(C(F)(F)F)cc1
    InChI
    InChI=1S/C34H34F3N5O5S/c1-20-17-42(21(2)19-43)32(45)26-5-4-6-27(40-30(44)22-7-9-23(10-8-22)31-38-15-16-48-31)29(26)47-28(20)18-41(3)33(46)39-25-13-11-24(12-14-25)34(35,36)37/h4-16,20-21,28,43H,17-19H2,1-3H3,(H,39,46)(H,40,44)/t20-,21-,28+/m0/s1
    MOLECULAR FORMULA
    C34H34F3N5O5S
    CROSS REFERENCES
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    canSAR2000356

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 681.22
    AlogP 6.47
    HBond donors 3
    HBond acceptors 10
    Atoms 82
    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 canSAR2000356.