canSAR1388219
FEATURES
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NAMES
    SMILES
    CCS(=O)(=O)N1C[C@H](OCc2ccccn2)[C@@H]2OCCC[C@H]21.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C15H22N2O4S.C2HF3O2/c1-2-22(18,19)17-10-14(15-13(17)7-5-9-20-15)21-11-12-6-3-4-8-16-12;3-2(4,5)1(6)7/h3-4,6,8,13-15H,2,5,7,9-11H2,1H3;(H,6,7)
    MOLECULAR FORMULA
    C17H23F3N2O6S
    CROSS REFERENCES
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    canSAR1388219
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight440.12
    AlogP1.81
    HBond donors1
    HBond acceptors8
    Atoms52
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1388219.