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canSAR1127082
FEATURES
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NAMES
    SMILES
    Cc1ccc2c(c1)C(N[C@@H]1CC[C@@](C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(C)C)C1)CC2
    InChI
    InChI=1S/C28H32F6N2O/c1-16(2)26(9-8-22(14-26)36-24-7-6-19-5-4-17(3)10-23(19)24)25(37)35-15-18-11-20(27(29,30)31)13-21(12-18)28(32,33)34/h4-5,10-13,16,22,24,36H,6-9,14-15H2,1-3H3,(H,35,37)/t22-,24?,26+/m1/s1
    MOLECULAR FORMULA
    C28H32F6N2O
    CROSS REFERENCES
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    canSAR1127082

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 526.24
    AlogP 7.12
    HBond donors 2
    HBond acceptors 3
    Atoms 69
    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 canSAR1127082.