
 CHEMBL186426

 57 60  0  0  0  0  0  0  0  0999 V2000
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    7.0055    4.5389    1.4214 Cl  0  0  0  0  0
    1.0956    1.7297    2.5571 O   0  0  0  0  0
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   -5.3278   -1.6383    0.2410 C   0  0  0  0  0
    0.9671    2.8016   -0.6298 H   0  0  0  0  0
    0.4022    3.5973    0.8408 H   0  0  0  0  0
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   -1.2674    1.8795    1.2492 H   0  0  0  0  0
   -0.1803   -0.3725    1.6038 H   0  0  0  0  0
    0.3975   -1.2636    0.1954 H   0  0  0  0  0
    2.2684   -0.2522    1.3290 H   0  0  0  0  0
    2.0785    0.3243   -0.3277 H   0  0  0  0  0
    2.5109    3.6863    3.0032 H   0  0  0  0  0
    4.7138    4.7649    3.1085 H   0  0  0  0  0
    5.9213    2.6860   -0.4559 H   0  0  0  0  0
    3.7415    1.5986   -0.5830 H   0  0  0  0  0
    1.8015    1.3190    3.0868 H   0  0  0  0  0
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  1  6  1  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  3  1  0  0  0
  2 32  1  0  0  0
  2 33  1  0  0  0
  3  4  1  0  0  0
  3 15  1  0  0  0
  4  5  1  0  0  0
  4 34  1  0  0  0
  4 35  1  0  0  0
  5  6  1  0  0  0
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  5 37  1  0  0  0
  6 14  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 38  1  0  0  0
  9 10  2  0  0  0
  9 39  1  0  0  0
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 29 57  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL186426

>  <PubChem CID>
44395410

>  <Formula>
C26H28ClNO

>  <Molecular Weight>
405.966000

>  <IUPAC Name>
4-(4-chlorophenyl)-1-(3,3-diphenylpropyl)piperidin-4-ol

>  <XlogP>
5.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCC(C3=CC=CC=C3)C4=CC=CC=C4

>  <Isomeric SMILES>
C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCC(C3=CC=CC=C3)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C26H28ClNO/c27-24-13-11-23(12-14-24)26(29)16-19-28(20-17-26)18-15-25(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,25,29H,15-20H2

>  <InChI Key>
RKUUVJYLJXYLRY-UHFFFAOYSA-N

