
 CHEMBL216050

 59 62  0  0  0  0  0  0  0  0999 V2000
    0.3086    0.8282    1.0196 C   0  0  0  0  0
    1.7593    0.6835    0.8787 N   0  0  0  0  0
    2.0597   -0.5187    0.0964 C   0  0  0  0  0
    2.3228    1.8986    0.2584 C   0  0  0  0  0
    3.8336    1.8842    0.1491 C   0  0  0  0  0
    4.6362    1.8677    1.2994 C   0  0  0  0  0
    6.0350    1.7796    1.2077 C   0  0  0  0  0
    6.6425    1.7312   -0.0567 C   0  0  0  0  0
    8.1293    1.5283   -0.2239 C   0  0  0  0  0
    8.9576    1.5688    1.0782 C   0  0  0  0  0
    8.1758    1.0216    2.2816 C   0  0  0  0  0
    6.8625    1.7729    2.4662 C   0  0  0  0  0
   10.2680    0.8810    0.9442 N   0  0  0  0  0
   10.2633   -0.5063    0.4774 C   0  0  0  0  0
   11.4054    1.5126    1.4708 C   0  0  0  0  0
   11.3515    2.5597    2.1124 O   0  0  0  0  0
   12.7523    0.9066    1.2650 C   0  0  0  0  0
   13.1477    0.3723    0.0385 C   0  0  0  0  0
   14.3994   -0.2445   -0.0931 C   0  0  0  0  0
   15.3197   -0.2941    0.9717 C   0  0  0  0  0
   14.9283    0.3283    2.1734 C   0  0  0  0  0
   13.6627    0.9147    2.3230 C   0  0  0  0  0
   16.6324   -0.9785    0.8320 C   0  0  0  0  0
   17.2812   -1.0919   -0.4076 C   0  0  0  0  0
   18.4887   -1.7722   -0.4960 C   0  0  0  0  0
   19.1107   -2.3371    0.5558 N   0  0  0  0  0
   18.4942   -2.2170    1.7468 C   0  0  0  0  0
   17.2800   -1.5674    1.9291 C   0  0  0  0  0
    5.8407    1.7826   -1.2067 C   0  0  0  0  0
    4.4518    1.8578   -1.1057 C   0  0  0  0  0
    0.0644    1.6966    1.6411 H   0  0  0  0  0
   -0.1190   -0.0464    1.5229 H   0  0  0  0  0
   -0.1913    0.9448    0.0507 H   0  0  0  0  0
    1.5949   -1.4000    0.5538 H   0  0  0  0  0
    3.1350   -0.7250    0.0787 H   0  0  0  0  0
    1.7021   -0.4414   -0.9367 H   0  0  0  0  0
    2.0561    2.7759    0.8632 H   0  0  0  0  0
    1.8786    2.0646   -0.7325 H   0  0  0  0  0
    4.1568    1.8911    2.2772 H   0  0  0  0  0
    8.2515    0.5618   -0.7260 H   0  0  0  0  0
    8.5254    2.2875   -0.9111 H   0  0  0  0  0
    9.1533    2.6295    1.2866 H   0  0  0  0  0
    8.7779    1.1085    3.1942 H   0  0  0  0  0
    7.9619   -0.0460    2.1507 H   0  0  0  0  0
    7.0601    2.8110    2.7595 H   0  0  0  0  0
    6.3030    1.3004    3.2825 H   0  0  0  0  0
   10.3546   -0.5068   -0.6126 H   0  0  0  0  0
    9.3290   -1.0025    0.7494 H   0  0  0  0  0
   11.0790   -1.0820    0.9194 H   0  0  0  0  0
   12.4897    0.4182   -0.8243 H   0  0  0  0  0
   14.6337   -0.7027   -1.0514 H   0  0  0  0  0
   15.6080    0.3737    3.0224 H   0  0  0  0  0
   13.3917    1.3766    3.2707 H   0  0  0  0  0
   16.8700   -0.6549   -1.3109 H   0  0  0  0  0
   18.9989   -1.8809   -1.4490 H   0  0  0  0  0
   19.0124   -2.6764    2.5840 H   0  0  0  0  0
   16.8513   -1.5465    2.9253 H   0  0  0  0  0
    6.2971    1.7390   -2.1933 H   0  0  0  0  0
    3.8545    1.8720   -2.0140 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 34  1  0  0  0
  3 35  1  0  0  0
  3 36  1  0  0  0
  4  5  1  0  0  0
  4 37  1  0  0  0
  4 38  1  0  0  0
  5  6  2  0  0  0
  5 30  1  0  0  0
  6  7  1  0  0  0
  6 39  1  0  0  0
  7 12  1  0  0  0
  7  8  2  0  0  0
  8 29  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 40  1  0  0  0
  9 41  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 10 42  1  0  0  0
 11 12  1  0  0  0
 11 43  1  0  0  0
 11 44  1  0  0  0
 12 45  1  0  0  0
 12 46  1  0  0  0
 13 15  1  0  0  0
 13 14  1  0  0  0
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 15 17  1  0  0  0
 15 16  2  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
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 21 22  2  0  0  0
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 23 24  2  0  0  0
 23 28  1  0  0  0
 24 25  1  0  0  0
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 25 26  2  0  0  0
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 26 27  1  0  0  0
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 29 30  2  0  0  0
 29 58  1  0  0  0
 30 59  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL216050

>  <PubChem CID>
44417900

>  <Formula>
C26H29N3O

>  <Molecular Weight>
399.538000

>  <IUPAC Name>
N-[(2S)-6-[(dimethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-methyl-4-pyridin-4-ylbenzamide

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN(C)CC1=CC2=C(CC(CC2)N(C)C(=O)C3=CC=C(C=C3)C4=CC=NC=C4)C=C1

>  <Isomeric SMILES>
CN(C)CC1=CC2=C(C[C@H](CC2)N(C)C(=O)C3=CC=C(C=C3)C4=CC=NC=C4)C=C1

>  <InChI Std. ID>
InChI=1S/C26H29N3O/c1-28(2)18-19-4-5-24-17-25(11-10-23(24)16-19)29(3)26(30)22-8-6-20(7-9-22)21-12-14-27-15-13-21/h4-9,12-16,25H,10-11,17-18H2,1-3H3/t25-/m0/s1

>  <InChI Key>
ADTVOYHHLZXZMB-VWLOTQADSA-N

