
 CHEMBL357434

 66 69  0  0  0  0  0  0  0  0999 V2000
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    2.9589    0.2369    2.0905 H   0  0  0  0  0
    4.9754    1.0761    3.0056 H   0  0  0  0  0
    5.5603    0.4764    4.5337 H   0  0  0  0  0
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    3.3769    2.5715    4.0912 H   0  0  0  0  0
    2.4631    0.2293    7.1425 H   0  0  0  0  0
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    1.5422   -2.3621    0.0774 H   0  0  0  0  0
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   -0.9774   -6.4839    1.1751 H   0  0  0  0  0
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  1  6  1  0  0  0
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  1 34  1  0  0  0
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  2 36  1  0  0  0
  3  4  1  0  0  0
  3 37  1  0  0  0
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  4  5  1  0  0  0
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 32 66  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL357434

>  <PubChem CID>
10503785

>  <Formula>
C27H34ClN3O

>  <Molecular Weight>
452.039000

>  <IUPAC Name>
5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-phenyl-2-piperidin-1-ylpentanenitrile

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CCN(CC1)C(CCCN2CCC(CC2)(C3=CC=C(C=C3)Cl)O)(C#N)C4=CC=CC=C4

>  <Isomeric SMILES>
C1CCN(CC1)C(CCCN2CCC(CC2)(C3=CC=C(C=C3)Cl)O)(C#N)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C27H34ClN3O/c28-25-12-10-24(11-13-25)27(32)15-20-30(21-16-27)17-7-14-26(22-29,23-8-3-1-4-9-23)31-18-5-2-6-19-31/h1,3-4,8-13,32H,2,5-7,14-21H2

>  <InChI Key>
CUIGXBUECCRLGR-UHFFFAOYSA-N

