
 CHEMBL232418

 61 64  0  0  0  0  0  0  0  0999 V2000
    1.5081   -0.5006   -0.9449 C   0  0  0  0  0
    1.5303   -1.0636   -2.3614 C   0  0  0  0  0
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    2.3981   -1.6268    2.5074 C   0  0  0  0  0
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   -4.9373   -6.7257   -2.3962 C   0  0  0  0  0
   -5.3054   -5.6344   -3.1659 C   0  0  0  0  0
   -4.4830   -4.5122   -3.1552 C   0  0  0  0  0
    2.2137    0.3345   -0.8636 H   0  0  0  0  0
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    1.2761   -3.6273    0.5717 H   0  0  0  0  0
    2.8999   -1.8897   -0.0665 H   0  0  0  0  0
    0.9620   -0.4251    1.6185 H   0  0  0  0  0
    1.3029   -0.2221    3.6521 H   0  0  0  0  0
    2.8102   -3.5759    4.6790 H   0  0  0  0  0
    1.6394   -5.0898    6.2095 H   0  0  0  0  0
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    2.1880    1.6175    4.6793 H   0  0  0  0  0
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   -6.2128   -5.6581   -3.7588 H   0  0  0  0  0
   -4.7505   -3.6442   -3.7534 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  2  3  1  0  0  0
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  3  4  1  0  0  0
  3 25  1  0  0  0
  4  5  1  0  0  0
  4 39  1  0  0  0
  4 40  1  0  0  0
  5  6  1  0  0  0
  5 41  1  0  0  0
  5 42  1  0  0  0
  6  7  1  0  0  0
  6 43  1  0  0  0
  7  8  1  0  0  0
  7 44  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 18  1  0  0  0
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 33 60  1  0  0  0
 34 61  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL232418

>  <PubChem CID>
44430516

>  <Formula>
C27H27Cl2N3O2

>  <Molecular Weight>
496.432000

>  <IUPAC Name>
2,2-bis(4-chlorophenyl)-N-[1-(3-pyridin-3-ylpropanoyl)piperidin-4-yl]acetamide

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(CCC1NC(=O)C(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)C(=O)CCC4=CN=CC=C4

>  <Isomeric SMILES>
C1CN(CCC1NC(=O)C(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)C(=O)CCC4=CN=CC=C4

>  <InChI Std. ID>
InChI=1S/C27H27Cl2N3O2/c28-22-8-4-20(5-9-22)26(21-6-10-23(29)11-7-21)27(34)31-24-13-16-32(17-14-24)25(33)12-3-19-2-1-15-30-18-19/h1-2,4-11,15,18,24,26H,3,12-14,16-17H2,(H,31,34)

>  <InChI Key>
MOAKSXYTYAKBNI-UHFFFAOYSA-N

