
 CHEMBL243128

 76 79  0  0  0  0  0  0  0  0999 V2000
    0.7109    6.6318   -2.4193 C   0  0  0  0  0
    1.5942    7.4842   -1.5119 C   0  0  0  0  0
    0.7896    8.6129   -0.8734 C   0  0  0  0  0
    2.2182    6.5938   -0.4336 C   0  0  0  0  0
    1.6585    6.3989    0.6379 O   0  0  0  0  0
    3.4223    6.0349   -0.8398 N   0  0  0  0  0
    4.2462    5.1541   -0.1080 C   0  0  0  0  0
    3.8679    4.5407    1.0845 C   0  0  0  0  0
    4.7480    3.6718    1.7328 C   0  0  0  0  0
    6.0136    3.4202    1.2028 C   0  0  0  0  0
    6.4327    4.0306    0.0110 C   0  0  0  0  0
    5.5191    4.8788   -0.6358 C   0  0  0  0  0
    7.8334    3.7281   -0.5160 C   0  0  0  0  0
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    7.5593    3.4968   -3.0250 C   0  0  0  0  0
    8.4190    4.6520   -3.3239 N   0  0  0  0  0
    8.4857    5.5893   -2.1923 C   0  0  0  0  0
    8.7096    4.9561   -0.8153 C   0  0  0  0  0
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    9.7693    3.5105   -5.1538 C   0  0  0  0  0
    9.0961    4.2312   -6.3298 C   0  0  0  0  0
    7.6927    4.5062   -6.0898 N   0  0  0  0  0
    6.6689    4.1400   -6.9428 C   0  0  0  0  0
    6.8762    3.5706   -8.0121 O   0  0  0  0  0
    5.2521    4.4910   -6.4166 C   0  0  0  0  0
    4.2319    4.6856   -7.5437 C   0  0  0  0  0
    4.4185    5.7412   -8.4566 C   0  0  0  0  0
    3.5166    5.9546   -9.5031 C   0  0  0  0  0
    2.4113    5.1210   -9.6460 C   0  0  0  0  0
    2.2019    4.0763   -8.7525 C   0  0  0  0  0
    3.1085    3.8572   -7.7112 C   0  0  0  0  0
    1.3018    5.3808  -10.9339 Cl  0  0  0  0  0
    4.7973    3.5411   -5.3023 C   0  0  0  0  0
    3.9498    4.0151   -4.2832 C   0  0  0  0  0
    3.5449    3.1719   -3.2448 C   0  0  0  0  0
    3.9821    1.8499   -3.2142 C   0  0  0  0  0
    4.7868    1.3522   -4.2350 C   0  0  0  0  0
    5.1801    2.1885   -5.2824 C   0  0  0  0  0
    3.5344    0.8310   -1.9036 Cl  0  0  0  0  0
    1.2967    5.8577   -2.9255 H   0  0  0  0  0
    0.2276    7.2476   -3.1857 H   0  0  0  0  0
   -0.0745    6.1258   -1.8456 H   0  0  0  0  0
    2.3912    7.9381   -2.1123 H   0  0  0  0  0
   -0.0525    8.2306   -0.2854 H   0  0  0  0  0
    0.3897    9.2865   -1.6393 H   0  0  0  0  0
    1.4215    9.2037   -0.2016 H   0  0  0  0  0
    3.8033    6.3661   -1.7175 H   0  0  0  0  0
    2.8926    4.7044    1.5284 H   0  0  0  0  0
    4.4397    3.1902    2.6569 H   0  0  0  0  0
    6.6718    2.7369    1.7365 H   0  0  0  0  0
    5.7880    5.3456   -1.5750 H   0  0  0  0  0
    8.3486    3.1956    0.2963 H   0  0  0  0  0
    7.1011    1.9736   -1.5744 H   0  0  0  0  0
    8.8167    2.2880   -1.7808 H   0  0  0  0  0
    7.5887    2.7642   -3.8349 H   0  0  0  0  0
    6.5299    3.8575   -3.0195 H   0  0  0  0  0
    9.2646    6.3433   -2.3666 H   0  0  0  0  0
    7.5616    6.1739   -2.1830 H   0  0  0  0  0
    9.7599    4.6388   -0.7632 H   0  0  0  0  0
    8.5800    5.7164   -0.0352 H   0  0  0  0  0
   10.3053    3.7060   -3.0659 H   0  0  0  0  0
   10.3345    5.2038   -3.9859 H   0  0  0  0  0
    9.3258    2.5177   -5.0233 H   0  0  0  0  0
   10.8184    3.3347   -5.4249 H   0  0  0  0  0
    9.2067    3.6256   -7.2349 H   0  0  0  0  0
    9.5836    5.1947   -6.5095 H   0  0  0  0  0
    7.4784    4.9110   -5.1812 H   0  0  0  0  0
    5.3564    5.4810   -5.9434 H   0  0  0  0  0
    5.2830    6.3971   -8.3706 H   0  0  0  0  0
    3.6883    6.7653  -10.2059 H   0  0  0  0  0
    1.3408    3.4218   -8.8606 H   0  0  0  0  0
    2.9160    3.0226   -7.0396 H   0  0  0  0  0
    3.6010    5.0455   -4.2948 H   0  0  0  0  0
    2.8988    3.5487   -2.4561 H   0  0  0  0  0
    5.1192    0.3169   -4.2190 H   0  0  0  0  0
    5.8050    1.7740   -6.0736 H   0  0  0  0  0
  1  2  1  0  0  0
  1 40  1  0  0  0
  1 41  1  0  0  0
  1 42  1  0  0  0
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  2  3  1  0  0  0
  2 43  1  0  0  0
  3 44  1  0  0  0
  3 45  1  0  0  0
  3 46  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6  7  1  0  0  0
  6 47  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 48  1  0  0  0
  9 10  2  0  0  0
  9 49  1  0  0  0
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 22 23  1  0  0  0
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 29 30  1  0  0  0
 29 32  1  0  0  0
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 31 72  1  0  0  0
 33 34  2  0  0  0
 33 38  1  0  0  0
 34 35  1  0  0  0
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 35 36  2  0  0  0
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 37 38  2  0  0  0
 37 75  1  0  0  0
 38 76  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL243128

>  <PubChem CID>
10325618

>  <Formula>
C32H37Cl2N3O2

>  <Molecular Weight>
566.567000

>  <IUPAC Name>
N-[3-[1-[3-[[2,2-bis(4-chlorophenyl)acetyl]amino]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide

>  <XlogP>
6.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C)C(=O)NC1=CC=CC(=C1)C2CCN(CC2)CCCNC(=O)C(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl

>  <Isomeric SMILES>
CC(C)C(=O)NC1=CC=CC(=C1)C2CCN(CC2)CCCNC(=O)C(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl

>  <InChI Std. ID>
InChI=1S/C32H37Cl2N3O2/c1-22(2)31(38)36-29-6-3-5-26(21-29)23-15-19-37(20-16-23)18-4-17-35-32(39)30(24-7-11-27(33)12-8-24)25-9-13-28(34)14-10-25/h3,5-14,21-23,30H,4,15-20H2,1-2H3,(H,35,39)(H,36,38)

>  <InChI Key>
FEDJKFPVWLWPSG-UHFFFAOYSA-N

