
 CHEMBL1818786

 66 69  0  0  0  0  0  0  0  0999 V2000
    2.2468   -0.6119   -3.3435 C   0  0  0  0  0
    2.0463   -0.5875   -1.8348 C   0  0  0  0  0
    3.0701   -1.4384   -1.0762 C   0  0  0  0  0
    4.4921   -0.9428   -1.1791 C   0  0  0  0  0
    4.8629    0.2961   -0.6469 C   0  0  0  0  0
    6.1868    0.7442   -0.7344 C   0  0  0  0  0
    7.1822   -0.0284   -1.3551 C   0  0  0  0  0
    6.7942   -1.2713   -1.8848 C   0  0  0  0  0
    5.4729   -1.7249   -1.7956 C   0  0  0  0  0
    8.5808    0.4439   -1.4539 C   0  0  0  0  0
    9.6624   -0.4322   -1.2450 C   0  0  0  0  0
   10.9898   -0.0022   -1.3710 C   0  0  0  0  0
   11.2660    1.3243   -1.7155 C   0  0  0  0  0
   10.2070    2.2204   -1.8862 C   0  0  0  0  0
    8.8829    1.7815   -1.7639 C   0  0  0  0  0
   12.6600    1.8224   -1.9136 C   0  0  0  0  0
   12.9057    2.9870   -1.6245 O   0  0  0  0  0
   13.5312    0.8987   -2.4651 N   0  0  0  0  0
   14.8817    1.0932   -2.8237 C   0  0  0  0  0
   15.5803    2.2859   -2.6359 C   0  0  0  0  0
   16.9177    2.4182   -3.0583 C   0  0  0  0  0
   17.5567    1.3405   -3.6927 C   0  0  0  0  0
   18.9849    1.4391   -4.1771 C   0  0  0  0  0
   19.4479    2.8924   -4.3709 C   0  0  0  0  0
   19.1159    3.6916   -3.1020 C   0  0  0  0  0
   17.6039    3.7511   -2.8861 C   0  0  0  0  0
   20.9559    2.9855   -4.6845 C   0  0  0  0  0
   21.3956    2.2216   -5.8670 N   0  0  0  0  0
   20.7618    2.6920   -7.1011 C   0  0  0  0  0
   22.8532    2.3095   -6.0008 C   0  0  0  0  0
   16.8659    0.1333   -3.8465 C   0  0  0  0  0
   15.5411    0.0138   -3.4209 C   0  0  0  0  0
    1.4492   -0.0471   -3.8369 H   0  0  0  0  0
    2.2222   -1.6369   -3.7268 H   0  0  0  0  0
    3.2011   -0.1585   -3.6284 H   0  0  0  0  0
    1.0440   -0.9735   -1.6126 H   0  0  0  0  0
    2.0680    0.4505   -1.4838 H   0  0  0  0  0
    3.0063   -2.4762   -1.4274 H   0  0  0  0  0
    2.7975   -1.4653   -0.0134 H   0  0  0  0  0
    4.1251    0.9245   -0.1526 H   0  0  0  0  0
    6.4341    1.7083   -0.2942 H   0  0  0  0  0
    7.5205   -1.9039   -2.3908 H   0  0  0  0  0
    5.2191   -2.6947   -2.2178 H   0  0  0  0  0
    9.4783   -1.4682   -0.9653 H   0  0  0  0  0
   11.7881   -0.7117   -1.1723 H   0  0  0  0  0
   10.4072    3.2615   -2.1327 H   0  0  0  0  0
    8.0839    2.5010   -1.9351 H   0  0  0  0  0
   13.1450    0.0020   -2.7265 H   0  0  0  0  0
   15.1028    3.1449   -2.1741 H   0  0  0  0  0
   19.6268    0.9326   -3.4449 H   0  0  0  0  0
   19.0760    0.8986   -5.1270 H   0  0  0  0  0
   18.8828    3.3419   -5.1984 H   0  0  0  0  0
   19.5088    4.7128   -3.1720 H   0  0  0  0  0
   19.5956    3.2243   -2.2317 H   0  0  0  0  0
   17.1668    4.4521   -3.6084 H   0  0  0  0  0
   17.4065    4.1445   -1.8818 H   0  0  0  0  0
   21.5036    2.6137   -3.8077 H   0  0  0  0  0
   21.2315    4.0428   -4.7988 H   0  0  0  0  0
   19.6849    2.4972   -7.0927 H   0  0  0  0  0
   21.1549    2.1478   -7.9677 H   0  0  0  0  0
   20.9231    3.7630   -7.2671 H   0  0  0  0  0
   23.3489    1.9175   -5.1058 H   0  0  0  0  0
   23.1913    3.3401   -6.1604 H   0  0  0  0  0
   23.2007    1.6990   -6.8419 H   0  0  0  0  0
   17.3542   -0.7193   -4.3136 H   0  0  0  0  0
   15.0341   -0.9348   -3.5737 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  4  1  0  0  0
  3 38  1  0  0  0
  3 39  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 40  1  0  0  0
  6  7  2  0  0  0
  6 41  1  0  0  0
  7  8  1  0  0  0
  7 10  1  0  0  0
  8  9  2  0  0  0
  8 42  1  0  0  0
  9 43  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
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 12 13  2  0  0  0
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 13 14  1  0  0  0
 13 16  1  0  0  0
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 18 19  1  0  0  0
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 19 20  2  0  0  0
 19 32  1  0  0  0
 20 21  1  0  0  0
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 21 26  1  0  0  0
 21 22  2  0  0  0
 22 31  1  0  0  0
 22 23  1  0  0  0
 23 24  1  0  0  0
 23 50  1  0  0  0
 23 51  1  0  0  0
 24 25  1  0  0  0
 24 27  1  0  0  0
 24 52  1  0  0  0
 25 26  1  0  0  0
 25 53  1  0  0  0
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 26 55  1  0  0  0
 26 56  1  0  0  0
 27 28  1  0  0  0
 27 57  1  0  0  0
 27 58  1  0  0  0
 28 30  1  0  0  0
 28 29  1  0  0  0
 29 59  1  0  0  0
 29 60  1  0  0  0
 29 61  1  0  0  0
 30 62  1  0  0  0
 30 63  1  0  0  0
 30 64  1  0  0  0
 31 32  2  0  0  0
 31 65  1  0  0  0
 32 66  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1818786

>  <PubChem CID>
23593472

>  <Formula>
C29H34N2O

>  <Molecular Weight>
426.604000

>  <IUPAC Name>
N-[6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-4-(4-propylphenyl)benzamide

>  <XlogP>
6.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC3=CC4=C(CC(CC4)CN(C)C)C=C3

>  <Isomeric SMILES>
CCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC3=CC4=C(CC(CC4)CN(C)C)C=C3

>  <InChI Std. ID>
InChI=1S/C29H34N2O/c1-4-5-21-6-9-23(10-7-21)24-12-14-25(15-13-24)29(32)30-28-17-16-26-18-22(20-31(2)3)8-11-27(26)19-28/h6-7,9-10,12-17,19,22H,4-5,8,11,18,20H2,1-3H3,(H,30,32)

>  <InChI Key>
GLGPWCKZXKIUPZ-UHFFFAOYSA-N

