canSAR1387728
FEATURES
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NAMES
    SMILES
    O=C(NCCc1cccs1)[C@H]1CO[C@H]2CCN(CC3CC3)C[C@@H]2C1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C19H28N2O2S.C2HF3O2/c22-19(20-7-5-17-2-1-9-24-17)16-10-15-12-21(11-14-3-4-14)8-6-18(15)23-13-16;3-2(4,5)1(6)7/h1-2,9,14-16,18H,3-8,10-13H2,(H,20,22);(H,6,7)
    MOLECULAR FORMULA
    C21H29F3N2O4S
    CROSS REFERENCES
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    canSAR1387728
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight462.18
    AlogP3.18
    HBond donors2
    HBond acceptors6
    Atoms60
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1387728.