canSAR1387456
FEATURES
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NAMES
    SMILES
    O=C(O)C(F)(F)F.O=C([C@H]1CCS(=O)(=O)[C@@H]2CN(CCc3ccccc3)C[C@@H]12)N1CCCC1
    InChI
    InChI=1S/C20H28N2O3S.C2HF3O2/c23-20(22-10-4-5-11-22)17-9-13-26(24,25)19-15-21(14-18(17)19)12-8-16-6-2-1-3-7-16;3-2(4,5)1(6)7/h1-3,6-7,17-19H,4-5,8-15H2;(H,6,7)
    MOLECULAR FORMULA
    C22H29F3N2O5S
    CROSS REFERENCES
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    canSAR1387456
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight490.17
    AlogP2.22
    HBond donors1
    HBond acceptors7
    Atoms62
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1387456.