
 CHEMBL210578

 53 56  0  0  0  0  0  0  0  0999 V2000
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    3.6037   -1.6192   -2.8343 O   0  0  0  0  0
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   -0.1837   -2.1632   -0.7558 H   0  0  0  0  0
    0.6810   -1.0841   -2.7689 H   0  0  0  0  0
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  5 21  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL210578

>  <PubChem CID>
13091268

>  <Formula>
C23H25ClFNO2

>  <Molecular Weight>
401.906000

>  <IUPAC Name>
4-[3-(4-chlorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-1-(4-fluorophenyl)butan-1-one

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CC2CC(CC1N2CCCC(=O)C3=CC=C(C=C3)F)(C4=CC=C(C=C4)Cl)O

>  <Isomeric SMILES>
C1CC2CC(CC1N2CCCC(=O)C3=CC=C(C=C3)F)(C4=CC=C(C=C4)Cl)O

>  <InChI Std. ID>
InChI=1S/C23H25ClFNO2/c24-18-7-5-17(6-8-18)23(28)14-20-11-12-21(15-23)26(20)13-1-2-22(27)16-3-9-19(25)10-4-16/h3-10,20-21,28H,1-2,11-15H2

>  <InChI Key>
CXQUOFVDYCOSEZ-UHFFFAOYSA-N

