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canSAR2096591
FEATURES
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NAMES
    SMILES
    COCCNC(=O)[C@H]1C[C@H]2OCC[C@H]2N(Cc2ccoc2)C1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C16H24N2O4.C2HF3O2/c1-20-7-4-17-16(19)13-8-15-14(3-6-22-15)18(10-13)9-12-2-5-21-11-12;3-2(4,5)1(6)7/h2,5,11,13-15H,3-4,6-10H2,1H3,(H,17,19);(H,6,7)/t13-,14+,15+;/m0./s1
    MOLECULAR FORMULA
    C18H25F3N2O6
    CROSS REFERENCES
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    canSAR2096591

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 422.17
    AlogP 1.65
    HBond donors 2
    HBond acceptors 8
    Atoms 54
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2096591.