canSAR2095878
FEATURES
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NAMES
    SMILES
    O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1cncc(CN2CCO[C@@H]3CN(Cc4ccoc4)CC[C@@H]3C2)c1
    InChI
    InChI=1S/C19H25N3O2.3C2HF3O2/c1-2-16(10-20-5-1)11-22-7-9-24-19-14-21(6-3-18(19)13-22)12-17-4-8-23-15-17;3*3-2(4,5)1(6)7/h1-2,4-5,8,10,15,18-19H,3,6-7,9,11-14H2;3*(H,6,7)/t18-,19-;;;/m1.../s1
    MOLECULAR FORMULA
    C25H28F9N3O8
    CROSS REFERENCES
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    canSAR2095878
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight669.17
    AlogP4.30
    HBond donors3
    HBond acceptors11
    Atoms73
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2095878.