canSAR1388071
FEATURES
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NAMES
    SMILES
    O=C(NCC1CCOCC1)[C@H]1C[C@H]2CCN(c3nncs3)C[C@@H]2O1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C16H24N4O3S.C2HF3O2/c21-15(17-8-11-2-5-22-6-3-11)13-7-12-1-4-20(9-14(12)23-13)16-19-18-10-24-16;3-2(4,5)1(6)7/h10-14H,1-9H2,(H,17,21);(H,6,7)
    MOLECULAR FORMULA
    C18H25F3N4O5S
    CROSS REFERENCES
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    canSAR1388071
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight466.15
    AlogP1.70
    HBond donors2
    HBond acceptors9
    Atoms56
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1388071.