
 CHEMBL49576

 54 57  0  0  0  0  0  0  0  0999 V2000
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    0.4152   -1.7709    3.0548 O   0  0  0  0  0
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    9.5258   -2.6265    2.7330 F   0  0  0  0  0
    1.2273   -4.0689    4.2938 O   0  0  0  0  0
    2.8531    2.0520    0.9468 H   0  0  0  0  0
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    2.3941    1.7583   -1.9243 H   0  0  0  0  0
    1.2467    2.1996   -0.6824 H   0  0  0  0  0
    2.6257   -0.6151   -2.6072 H   0  0  0  0  0
    1.8719   -1.8555   -1.6338 H   0  0  0  0  0
    3.7997   -1.9347   -0.3962 H   0  0  0  0  0
    4.4445   -0.5175   -1.2190 H   0  0  0  0  0
    4.1623   -0.1170    1.2654 H   0  0  0  0  0
    1.8315    0.0935    2.1492 H   0  0  0  0  0
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  1  6  1  0  0  0
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  1 30  1  0  0  0
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  3  8  1  0  0  0
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  4  5  1  0  0  0
  4 33  1  0  0  0
  4 34  1  0  0  0
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  5 35  1  0  0  0
  5 36  1  0  0  0
  6  7  1  0  0  0
  6 37  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL49576

>  <PubChem CID>
44292563

>  <Formula>
C23H26FNO3

>  <Molecular Weight>
383.463000

>  <IUPAC Name>
1-azabicyclo[2.2.2]octan-3-yl (2R)-2-[4-(2-fluoroethyl)phenyl]-2-hydroxy-2-phenylacetate

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN2CCC1C(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=C(C=C4)CCF)O

>  <Isomeric SMILES>
C1CN2CCC1C(C2)OC(=O)[C@@](C3=CC=CC=C3)(C4=CC=C(C=C4)CCF)O

>  <InChI Std. ID>
InChI=1S/C23H26FNO3/c24-13-10-17-6-8-20(9-7-17)23(27,19-4-2-1-3-5-19)22(26)28-21-16-25-14-11-18(21)12-15-25/h1-9,18,21,27H,10-16H2/t21?,23-/m1/s1

>  <InChI Key>
AXYNUUVRRMNNRY-JFGZAKSSSA-N

