
 CHEMBL261594

 72 76  0  0  0  0  0  0  0  0999 V2000
    1.7052    0.2381    1.5263 C   0  0  0  0  0
    2.3297    0.2091    0.1397 C   0  0  0  0  0
    3.1490    1.4582   -0.1492 C   0  0  0  0  0
    4.5276    1.6429    0.2039 C   0  0  0  0  0
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    4.2963    3.9787   -0.5644 C   0  0  0  0  0
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    2.4114    2.5202   -0.7215 C   0  0  0  0  0
    6.4939    3.3593    0.3863 C   0  0  0  0  0
    7.5009    3.0252   -0.7004 C   0  0  0  0  0
    5.3473    0.5313    0.7762 C   0  0  0  0  0
    6.1207    0.8382    1.8377 N   0  0  0  0  0
    6.8393   -0.1337    2.4498 C   0  0  0  0  0
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    6.4806   -2.9404    4.2456 N   0  0  0  0  0
    5.1416   -3.4152    3.8695 C   0  0  0  0  0
    4.4359   -4.0826    5.0561 C   0  0  0  0  0
    4.4238   -3.2070    6.2817 C   0  0  0  0  0
    3.4638   -3.4073    7.2827 C   0  0  0  0  0
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    5.9647   -1.7891    0.9885 C   0  0  0  0  0
    5.3508   -0.7618    0.2670 C   0  0  0  0  0
    5.9288   -3.1126    0.6315 O   0  0  0  0  0
    5.2826   -3.4538   -0.5882 C   0  0  0  0  0
    1.1090   -0.6663    1.6867 H   0  0  0  0  0
    1.0424    1.1018    1.6447 H   0  0  0  0  0
    2.4695    0.2853    2.3080 H   0  0  0  0  0
    1.5283    0.1255   -0.6074 H   0  0  0  0  0
    2.8934   -0.7127    0.0153 H   0  0  0  0  0
    4.7230    4.9687   -0.7168 H   0  0  0  0  0
    2.3946    4.5691   -1.3701 H   0  0  0  0  0
    1.3632    2.3811   -0.9811 H   0  0  0  0  0
    6.8042    2.9469    1.3472 H   0  0  0  0  0
    6.5217    4.4437    0.5617 H   0  0  0  0  0
    8.5035    3.3376   -0.3897 H   0  0  0  0  0
    7.2600    3.5502   -1.6309 H   0  0  0  0  0
    7.5279    1.9526   -0.9126 H   0  0  0  0  0
    7.4212   -3.4578    2.4780 H   0  0  0  0  0
    9.2050   -2.8058    4.0795 H   0  0  0  0  0
    9.3249   -2.1927    2.4498 H   0  0  0  0  0
    9.9049   -0.3136    3.5607 H   0  0  0  0  0
    8.9838   -0.6644    4.9793 H   0  0  0  0  0
    8.3768    1.2083    3.0116 H   0  0  0  0  0
    7.3306    0.7377    4.3268 H   0  0  0  0  0
    5.2128   -4.1619    3.0700 H   0  0  0  0  0
    4.5206   -2.5889    3.4998 H   0  0  0  0  0
    4.9438   -5.0213    5.3109 H   0  0  0  0  0
    3.4087   -4.3281    4.7617 H   0  0  0  0  0
    2.6993   -4.1718    7.1624 H   0  0  0  0  0
    2.7118   -2.7764    9.2004 H   0  0  0  0  0
    4.4524   -1.0604    9.5242 H   0  0  0  0  0
    6.0895   -0.9786    4.9189 H   0  0  0  0  0
    7.3928   -1.8828    5.7751 H   0  0  0  0  0
    7.9511    0.5391   10.6000 H   0  0  0  0  0
    7.9372    1.3330    9.0154 H   0  0  0  0  0
    8.8906   -0.1701    9.2703 H   0  0  0  0  0
    4.8378   -0.9563   -0.6657 H   0  0  0  0  0
    5.3705   -4.5365   -0.7208 H   0  0  0  0  0
    5.7720   -2.9737   -1.4420 H   0  0  0  0  0
    4.2160   -3.2091   -0.5516 H   0  0  0  0  0
  1  2  1  0  0  0
  1 37  1  0  0  0
  1 38  1  0  0  0
  1 39  1  0  0  0
  2  3  1  0  0  0
  2 40  1  0  0  0
  2 41  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 11  1  0  0  0
  5  6  2  0  0  0
  5  9  1  0  0  0
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  6 42  1  0  0  0
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  8 44  1  0  0  0
  9 10  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL261594

>  <PubChem CID>
25192638

>  <Formula>
C31H36N2O3

>  <Molecular Weight>
484.640000

>  <IUPAC Name>
methyl 2-[2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-yl]-3,4-dihydro-1H-isoquinoline-8-carboxylate

>  <XlogP>
6.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCC1=C(C(=CC=C1)CC)C2=NC3=C(C(CCC3)N4CCC5=CC=CC(=C5C4)C(=O)OC)C(=C2)OC

>  <Isomeric SMILES>
CCC1=C(C(=CC=C1)CC)C2=NC3=C(C(CCC3)N4CCC5=CC=CC(=C5C4)C(=O)OC)C(=C2)OC

>  <InChI Std. ID>
InChI=1S/C31H36N2O3/c1-5-20-10-7-11-21(6-2)29(20)26-18-28(35-3)30-25(32-26)14-9-15-27(30)33-17-16-22-12-8-13-23(24(22)19-33)31(34)36-4/h7-8,10-13,18,27H,5-6,9,14-17,19H2,1-4H3

>  <InChI Key>
AFRYVACYSKMULR-UHFFFAOYSA-N

