canSAR2098929
FEATURES
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NAMES
    SMILES
    Cc1ccc(CN2CC[C@@H]3OCCN(Cc4ccncc4)[C@H]3CC2)s1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C20H27N3OS.3C2HF3O2/c1-16-2-3-18(25-16)15-22-10-6-19-20(7-11-22)24-13-12-23(19)14-17-4-8-21-9-5-17;3*3-2(4,5)1(6)7/h2-5,8-9,19-20H,6-7,10-15H2,1H3;3*(H,6,7)/t19-,20-;;;/m0.../s1
    MOLECULAR FORMULA
    C26H30F9N3O7S
    CROSS REFERENCES
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    canSAR2098929
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight699.17
    AlogP5.22
    HBond donors3
    HBond acceptors10
    Atoms76
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2098929.