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canSAR1152463
FEATURES
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NAMES
    SMILES
    CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)C(F)(F)F)NC(=O)[C@@H]2C[C@@H](OC(=O)N3Cc4ccccc4C3)CN2C1=O
    InChI
    InChI=1S/C33H42F3N5O9S/c1-31(2,3)50-29(45)37-24-14-8-6-4-5-7-13-22-16-32(22,28(44)39-51(47,48)33(34,35)36)38-26(42)25-15-23(19-41(25)27(24)43)49-30(46)40-17-20-11-9-10-12-21(20)18-40/h7,9-13,22-25H,4-6,8,14-19H2,1-3H3,(H,37,45)(H,38,42)(H,39,44)/b13-7-/t22-,23-,24+,25+,32-/m1/s1
    MOLECULAR FORMULA
    C33H42F3N5O9S
    CROSS REFERENCES
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    canSAR1152463

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 741.27
    AlogP 3.36
    HBond donors 3
    HBond acceptors 14
    Atoms 93
    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 canSAR1152463.