canSAR2080086
FEATURES
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NAMES
    SMILES
    CN(C)CCN1CCO[C@H]2CCN(C(=O)c3cccs3)CC[C@@H]21.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C17H27N3O2S.2C2HF3O2/c1-18(2)9-10-19-11-12-22-15-6-8-20(7-5-14(15)19)17(21)16-4-3-13-23-16;2*3-2(4,5)1(6)7/h3-4,13-15H,5-12H2,1-2H3;2*(H,6,7)/t14-,15-;;/m0../s1
    MOLECULAR FORMULA
    C21H29F6N3O6S
    CROSS REFERENCES
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    canSAR2080086
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight565.17
    AlogP2.88
    HBond donors2
    HBond acceptors9
    Atoms66
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2080086.