canSAR2097798
FEATURES
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NAMES
    SMILES
    CN(Cc1cccnc1)C[C@@H]1OC[C@H]2CN(Cc3ccco3)CC[C@H]21.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C20H27N3O2.3C2HF3O2/c1-22(11-16-4-2-7-21-10-16)14-20-19-6-8-23(12-17(19)15-25-20)13-18-5-3-9-24-18;3*3-2(4,5)1(6)7/h2-5,7,9-10,17,19-20H,6,8,11-15H2,1H3;3*(H,6,7)/t17-,19-,20+;;;/m1.../s1
    MOLECULAR FORMULA
    C26H30F9N3O8
    CROSS REFERENCES
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    canSAR2097798
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight683.19
    AlogP4.54
    HBond donors3
    HBond acceptors11
    Atoms76
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2097798.