
 CHEMBL417940

 64 66  0  0  0  0  0  0  0  0999 V2000
    0.6144    3.6871   -0.1561 C   0  0  0  0  0
    1.3544    3.2291   -1.3996 C   0  0  0  0  0
    2.1268    4.3637   -2.0542 C   0  0  0  0  0
    2.5984    5.2835   -1.3811 O   0  0  0  0  0
    2.3003    4.2958   -3.5764 C   0  0  0  0  0
    2.9137    5.5739   -4.1528 C   0  0  0  0  0
    4.4199    5.6695   -3.9009 C   0  0  0  0  0
    5.1417    4.4745   -4.3860 N   0  0  0  0  0
    4.6184    3.2685   -3.7248 C   0  0  0  0  0
    3.1245    3.0840   -4.0006 C   0  0  0  0  0
    6.5871    4.6589   -4.1228 C   0  0  0  0  0
    7.4875    3.6234   -4.8191 C   0  0  0  0  0
    8.9755    3.7357   -4.3841 C   0  0  0  0  0
    9.6955    2.4094   -4.7564 C   0  0  0  0  0
   11.1295    2.2669   -4.4639 N   0  0  0  0  0
   11.8243    1.2978   -5.3077 C   0  0  0  0  0
   11.6160    2.6436   -3.2034 C   0  0  0  0  0
   10.8794    3.0649   -2.3119 O   0  0  0  0  0
   13.0691    2.5259   -2.8706 C   0  0  0  0  0
   13.4076    2.2673   -1.5329 C   0  0  0  0  0
   14.7438    2.1360   -1.1504 C   0  0  0  0  0
   15.7532    2.2636   -2.1027 C   0  0  0  0  0
   15.4292    2.5528   -3.4264 C   0  0  0  0  0
   14.0934    2.7089   -3.8061 C   0  0  0  0  0
    9.6255    4.9975   -4.9360 C   0  0  0  0  0
   10.1263    5.0792   -6.2432 C   0  0  0  0  0
   10.6936    6.2682   -6.7208 C   0  0  0  0  0
   10.7488    7.3982   -5.9004 C   0  0  0  0  0
   10.2485    7.3309   -4.5991 C   0  0  0  0  0
    9.7010    6.1382   -4.1201 C   0  0  0  0  0
   11.4138    8.9020   -6.4297 Cl  0  0  0  0  0
   11.3084    6.2690   -8.3372 Cl  0  0  0  0  0
    0.0436    2.8580    0.2751 H   0  0  0  0  0
   -0.0838    4.4971   -0.3934 H   0  0  0  0  0
    1.3076    4.0556    0.6068 H   0  0  0  0  0
    0.6281    2.8340   -2.1174 H   0  0  0  0  0
    2.0622    2.4325   -1.1488 H   0  0  0  0  0
    1.2843    4.2024   -3.9816 H   0  0  0  0  0
    2.4190    6.4611   -3.7399 H   0  0  0  0  0
    2.7357    5.5924   -5.2361 H   0  0  0  0  0
    4.7870    6.5577   -4.4298 H   0  0  0  0  0
    4.6175    5.8321   -2.8339 H   0  0  0  0  0
    5.1192    2.3739   -4.1084 H   0  0  0  0  0
    4.7985    3.3017   -2.6428 H   0  0  0  0  0
    2.9784    2.9135   -5.0750 H   0  0  0  0  0
    2.7773    2.1720   -3.4965 H   0  0  0  0  0
    6.7764    4.6555   -3.0413 H   0  0  0  0  0
    6.8797    5.6479   -4.4958 H   0  0  0  0  0
    7.3940    3.7247   -5.9081 H   0  0  0  0  0
    7.1443    2.6148   -4.5662 H   0  0  0  0  0
    8.9672    3.8094   -3.2915 H   0  0  0  0  0
    9.5644    2.2342   -5.8324 H   0  0  0  0  0
    9.1990    1.5785   -4.2384 H   0  0  0  0  0
   11.1167    0.5341   -5.6490 H   0  0  0  0  0
   12.6230    0.7785   -4.7793 H   0  0  0  0  0
   12.2205    1.8238   -6.1831 H   0  0  0  0  0
   12.6265    2.1741   -0.7813 H   0  0  0  0  0
   14.9924    1.9393   -0.1095 H   0  0  0  0  0
   16.7938    2.1458   -1.8052 H   0  0  0  0  0
   16.2230    2.6641   -4.1630 H   0  0  0  0  0
   13.8687    2.9788   -4.8346 H   0  0  0  0  0
   10.0787    4.2168   -6.9033 H   0  0  0  0  0
   10.2813    8.2014   -3.9487 H   0  0  0  0  0
    9.3233    6.1071   -3.0986 H   0  0  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2  3  1  0  0  0
  2 36  1  0  0  0
  2 37  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  5 10  1  0  0  0
  5  6  1  0  0  0
  5 38  1  0  0  0
  6  7  1  0  0  0
  6 39  1  0  0  0
  6 40  1  0  0  0
  7  8  1  0  0  0
  7 41  1  0  0  0
  7 42  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  1  0  0  0
  9 43  1  0  0  0
  9 44  1  0  0  0
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 24 61  1  0  0  0
 25 26  2  0  0  0
 25 30  1  0  0  0
 26 27  1  0  0  0
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 27 32  1  0  0  0
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 29 30  2  0  0  0
 29 63  1  0  0  0
 30 64  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL417940

>  <PubChem CID>
22405762

>  <Formula>
C26H32Cl2N2O2

>  <Molecular Weight>
475.454000

>  <IUPAC Name>
N-[2-(3,4-dichlorophenyl)-4-(4-propanoylpiperidin-1-yl)butyl]-N-methylbenzamide

>  <XlogP>
5.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCC(=O)C1CCN(CC1)CCC(CN(C)C(=O)C2=CC=CC=C2)C3=CC(=C(C=C3)Cl)Cl

>  <Isomeric SMILES>
CCC(=O)C1CCN(CC1)CCC(CN(C)C(=O)C2=CC=CC=C2)C3=CC(=C(C=C3)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C26H32Cl2N2O2/c1-3-25(31)19-11-14-30(15-12-19)16-13-22(21-9-10-23(27)24(28)17-21)18-29(2)26(32)20-7-5-4-6-8-20/h4-10,17,19,22H,3,11-16,18H2,1-2H3

>  <InChI Key>
FDCLRKXPPRFSKU-UHFFFAOYSA-N

