canSAR2096356
FEATURES
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NAMES
    SMILES
    Cn1cc(CN2CC[C@]3(C[C@H](Oc4ccccn4)CO3)C2)cn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C17H22N4O2.2C2HF3O2/c1-20-10-14(9-19-20)11-21-7-5-17(13-21)8-15(12-22-17)23-16-4-2-3-6-18-16;2*3-2(4,5)1(6)7/h2-4,6,9-10,15H,5,7-8,11-13H2,1H3;2*(H,6,7)/t15-,17-;;/m0../s1
    MOLECULAR FORMULA
    C21H24F6N4O6
    CROSS REFERENCES
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    canSAR2096356
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight542.16
    AlogP2.89
    HBond donors2
    HBond acceptors10
    Atoms61
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2096356.