
 CHEMBL112528

 64 68  0  0  0  0  0  0  0  0999 V2000
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    5.4346    1.4409    0.4522 C   0  0  0  0  0
    8.9691    1.7069    1.2107 F   0  0  0  0  0
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    1.8928   -1.8871    1.4913 H   0  0  0  0  0
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    0.8936   -0.7743    3.1409 H   0  0  0  0  0
   -0.1476   -2.1374    3.4787 H   0  0  0  0  0
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   -0.9697    0.7766    3.9393 H   0  0  0  0  0
   -0.7201   -1.0126    6.1970 H   0  0  0  0  0
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    4.5640    2.0915    0.3845 H   0  0  0  0  0
  1  7  1  0  0  0
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  1 37  1  0  0  0
  2  3  1  0  0  0
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  3  4  1  0  0  0
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  5  6  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL112528

>  <PubChem CID>
44341929

>  <Formula>
C28H29F2N3O2

>  <Molecular Weight>
477.556000

>  <IUPAC Name>
N-[2-[3-[bis(4-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]ethyl]pyridine-3-carboxamide

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CC2CC(CC1N2CCNC(=O)C3=CN=CC=C3)OC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

>  <Isomeric SMILES>
C1CC2CC(CC1N2CCNC(=O)C3=CN=CC=C3)OC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

>  <InChI Std. ID>
InChI=1S/C28H29F2N3O2/c29-22-7-3-19(4-8-22)27(20-5-9-23(30)10-6-20)35-26-16-24-11-12-25(17-26)33(24)15-14-32-28(34)21-2-1-13-31-18-21/h1-10,13,18,24-27H,11-12,14-17H2,(H,32,34)

>  <InChI Key>
AHIVDMYTJFPCST-UHFFFAOYSA-N

