
 CHEMBL3216628

 60 61  0  0  0  0  0  0  0  0999 V2000
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    2.1615    0.2223    0.4950 H   0  0  0  0  0
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    2.6593   -1.6462    1.8849 H   0  0  0  0  0
    2.7791   -2.6506    5.9763 H   0  0  0  0  0
    1.1776   -0.8348    6.5215 H   0  0  0  0  0
    0.2818    0.5898    4.7119 H   0  0  0  0  0
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    4.7204    1.5666   -0.0332 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  3  1  0  0  0
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  2 35  1  0  0  0
  3  4  1  0  0  0
  3 14  1  0  0  0
  4  5  1  0  0  0
  4 36  1  0  0  0
  4 37  1  0  0  0
  5  6  1  0  0  0
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  6  7  1  0  0  0
  6 40  1  0  0  0
  7  8  1  0  0  0
  7 41  1  0  0  0
  8  9  2  0  0  0
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  9 10  1  0  0  0
  9 42  1  0  0  0
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 31 60  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3216628

>  <PubChem CID>
90664893

>  <Formula>
C25H29Cl2N3O

>  <Molecular Weight>
458.427000

>  <IUPAC Name>
3,3-diphenyl-1-[4-(pyridin-3-ylamino)piperidin-1-yl]propan-1-one;dihydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(CCC1NC2=CN=CC=C2)C(=O)CC(C3=CC=CC=C3)C4=CC=CC=C4.Cl.Cl

>  <Isomeric SMILES>
C1CN(CCC1NC2=CN=CC=C2)C(=O)CC(C3=CC=CC=C3)C4=CC=CC=C4.Cl.Cl

>  <InChI Std. ID>
InChI=1S/C25H27N3O.2ClH/c29-25(28-16-13-22(14-17-28)27-23-12-7-15-26-19-23)18-24(20-8-3-1-4-9-20)21-10-5-2-6-11-21;;/h1-12,15,19,22,24,27H,13-14,16-18H2;2*1H

>  <InChI Key>
HCLONZWXFMAKMK-UHFFFAOYSA-N

