
 CHEMBL363336

 60 64  0  0  0  0  0  0  0  0999 V2000
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    1.0151    2.3262   -1.3362 H   0  0  0  0  0
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    0.7050    0.2094    1.6452 H   0  0  0  0  0
    3.0188   -0.6411    3.9045 H   0  0  0  0  0
    2.5325   -2.1799    3.1929 H   0  0  0  0  0
    0.0214   -2.3622    2.3607 H   0  0  0  0  0
   -2.2799   -1.9613    3.0761 H   0  0  0  0  0
   -0.8811    0.9809    5.9086 H   0  0  0  0  0
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   -5.1365   -4.2032   -5.7517 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
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  1 34  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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  5 40  1  0  0  0
  6  7  1  0  0  0
  6 41  1  0  0  0
  7  8  1  0  0  0
  7 42  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
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 31 60  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL363336

>  <PubChem CID>
44397128

>  <Formula>
C27H28N2O3

>  <Molecular Weight>
428.532000

>  <IUPAC Name>
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-2-(4-phenylphenyl)acetamide

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CCC1NC(=O)CC2=CC=C(C=C2)C3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

>  <Isomeric SMILES>
C1CN(CCC1NC(=O)CC2=CC=C(C=C2)C3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

>  <InChI Std. ID>
InChI=1S/C27H28N2O3/c30-27(17-20-6-9-23(10-7-20)22-4-2-1-3-5-22)28-24-12-14-29(15-13-24)18-21-8-11-25-26(16-21)32-19-31-25/h1-11,16,24H,12-15,17-19H2,(H,28,30)

>  <InChI Key>
KXBNSOIMMVFGPK-UHFFFAOYSA-N

