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canSAR466156
FEATURES
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NAMES
    SMILES
    CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](CC(=O)O)C(=O)NCCc1cccc(C(F)(F)F)c1
    InChI
    InChI=1S/C42H44F3N5O7/c1-41(2,3)57-40(56)50-34(22-29-24-47-32-14-7-6-13-31(29)32)39(55)48-33(21-26-15-16-27-10-4-5-11-28(27)19-26)38(54)49-35(23-36(51)52)37(53)46-18-17-25-9-8-12-30(20-25)42(43,44)45/h4-16,19-20,24,33-35,47H,17-18,21-23H2,1-3H3,(H,46,53)(H,48,55)(H,49,54)(H,50,56)(H,51,52)/t33-,34+,35-/m1/s1
    MOLECULAR FORMULA
    C42H44F3N5O7
    CROSS REFERENCES
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    canSAR466156

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 787.32
    AlogP 5.82
    HBond donors 6
    HBond acceptors 12
    Atoms 101
    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 canSAR466156.