
 CHEMBL181678

 63 66  0  0  0  0  0  0  0  0999 V2000
    4.2674   -2.1264   -1.8771 C   0  0  0  0  0
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    1.7961   -2.9036    1.0028 O   0  0  0  0  0
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   -9.5964   -3.2185   -2.5683 F   0  0  0  0  0
    5.3129   -2.3532   -2.1125 H   0  0  0  0  0
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    0.5638   -6.0407   -1.6916 H   0  0  0  0  0
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  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
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  3 35  1  0  0  0
  4  5  2  0  0  0
  4 36  1  0  0  0
  5  6  1  0  0  0
  5 37  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL181678

>  <PubChem CID>
44389730

>  <Formula>
C26H32ClFN2O

>  <Molecular Weight>
443.003000

>  <IUPAC Name>
1-[4-[4-[(4-chloro-3-fluorophenyl)methyl]piperidin-1-yl]piperidin-1-yl]-2-(2-methylphenyl)ethanone

>  <XlogP>
5.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=CC=CC=C1CC(=O)N2CCC(CC2)N3CCC(CC3)CC4=CC(=C(C=C4)Cl)F

>  <Isomeric SMILES>
CC1=CC=CC=C1CC(=O)N2CCC(CC2)N3CCC(CC3)CC4=CC(=C(C=C4)Cl)F

>  <InChI Std. ID>
InChI=1S/C26H32ClFN2O/c1-19-4-2-3-5-22(19)18-26(31)30-14-10-23(11-15-30)29-12-8-20(9-13-29)16-21-6-7-24(27)25(28)17-21/h2-7,17,20,23H,8-16,18H2,1H3

>  <InChI Key>
AOPIAXYQYXZZMC-UHFFFAOYSA-N

