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canSAR2092802
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NAMES
    SMILES
    O=C(O)C(F)(F)F.c1coc(CN2CCO[C@@H]3[C@@H]2CC[C@H]3OCC2CCCC2)c1
    InChI
    InChI=1S/C18H27NO3.C2HF3O2/c1-2-5-14(4-1)13-22-17-8-7-16-18(17)21-11-9-19(16)12-15-6-3-10-20-15;3-2(4,5)1(6)7/h3,6,10,14,16-18H,1-2,4-5,7-9,11-13H2;(H,6,7)/t16-,17+,18+;/m0./s1
    MOLECULAR FORMULA
    C20H28F3NO5
    CROSS REFERENCES
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    canSAR2092802

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 419.19
    AlogP 3.85
    HBond donors 1
    HBond acceptors 6
    Atoms 57
    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 canSAR2092802.