
 CHEMBL3321789

 52 55  0  0  0  0  0  0  0  0999 V2000
   -2.4540   -0.1093   -0.0989 C   0  0  0  0  0
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    0.8609   -1.5025    0.6804 C   0  0  0  0  0
    1.2197   -2.9907    0.7480 C   0  0  0  0  0
    2.6044   -3.2113    1.3578 C   0  0  0  0  0
    3.5910   -2.5993    0.5249 O   0  0  0  0  0
    4.8967   -2.7335    0.9122 C   0  0  0  0  0
    5.3472   -3.3920    2.0606 C   0  0  0  0  0
    6.7155   -3.4578    2.3401 C   0  0  0  0  0
    7.6260   -2.8663    1.4738 C   0  0  0  0  0
    7.1948   -2.2073    0.3290 C   0  0  0  0  0
    5.8277   -2.1424    0.0509 C   0  0  0  0  0
    8.9346   -2.9313    1.7442 F   0  0  0  0  0
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   -0.9005    0.9370   -4.4273 C   0  0  0  0  0
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    1.2087    1.0191   -2.5052 O   0  0  0  0  0
   -2.9137    0.7828   -0.5245 H   0  0  0  0  0
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   -0.8515   -2.7873   -1.2147 H   0  0  0  0  0
    0.9349   -1.3639   -2.1210 H   0  0  0  0  0
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    7.9201   -1.7516   -0.3365 H   0  0  0  0  0
    5.4850   -1.6298   -0.8447 H   0  0  0  0  0
   -2.1357    2.5426   -1.6897 H   0  0  0  0  0
   -3.5066    3.5887   -3.3903 H   0  0  0  0  0
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    1.8859    0.5936   -1.9535 H   0  0  0  0  0
  1  7  1  0  0  0
  1  2  1  0  0  0
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  3  8  1  0  0  0
  3 32  1  0  0  0
  4  5  1  0  0  0
  4 33  1  0  0  0
  4 34  1  0  0  0
  5  6  1  0  0  0
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  5 20  1  0  0  0
  6  7  1  0  0  0
  6 35  1  0  0  0
  6 36  1  0  0  0
  7  8  1  0  0  0
  7 37  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
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  9 39  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3321789

>  <PubChem CID>
13091356

>  <Formula>
C22H25ClFNO2

>  <Molecular Weight>
389.895000

>  <IUPAC Name>
3-(4-chlorophenyl)-8-[3-(4-fluorophenoxy)propyl]-8-azabicyclo[3.2.1]octan-3-ol

>  <XlogP>
4.800

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CC2CC(CC1N2CCCOC3=CC=C(C=C3)F)(C4=CC=C(C=C4)Cl)O

>  <Isomeric SMILES>
C1CC2CC(CC1N2CCCOC3=CC=C(C=C3)F)(C4=CC=C(C=C4)Cl)O

>  <InChI Std. ID>
InChI=1S/C22H25ClFNO2/c23-17-4-2-16(3-5-17)22(26)14-19-8-9-20(15-22)25(19)12-1-13-27-21-10-6-18(24)7-11-21/h2-7,10-11,19-20,26H,1,8-9,12-15H2

>  <InChI Key>
AWIYLVWAILOVMX-UHFFFAOYSA-N

