canSAR2099391
FEATURES
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NAMES
    SMILES
    NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(Cc2ccc(F)cc2)C(=O)CO)c1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C25H30FN3O3.C2HF3O2/c26-21-6-4-17(5-7-21)15-28(24(31)16-30)10-11-29-22-8-9-23(29)14-20(13-22)18-2-1-3-19(12-18)25(27)32;3-2(4,5)1(6)7/h1-7,12,20,22-23,30H,8-11,13-16H2,(H2,27,32);(H,6,7)/t20-,22+,23-;
    MOLECULAR FORMULA
    C27H31F4N3O5
    CROSS REFERENCES
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    canSAR2099391
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight553.22
    AlogP3.29
    HBond donors4
    HBond acceptors8
    Atoms70
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2099391.