
 CHEMBL248064

 59 63  0  0  0  0  0  0  0  0999 V2000
   -4.2643    5.9483   -1.1142 C   0  0  0  0  0
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    2.4012    8.2569   -0.5390 N   0  0  0  0  0
    2.1769    6.8382   -0.2164 C   0  0  0  0  0
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    3.5122   11.0088   -0.1909 C   0  0  0  0  0
    3.8178   12.3633   -0.3756 C   0  0  0  0  0
    4.9126   12.6465   -1.2017 C   0  0  0  0  0
    5.6630   11.6713   -1.8487 C   0  0  0  0  0
    5.3064   10.3197   -1.6800 C   0  0  0  0  0
    6.6781   12.3681   -2.5632 C   0  0  0  0  0
    6.4957   13.7139   -2.3146 C   0  0  0  0  0
    5.4196   13.8764   -1.4900 O   0  0  0  0  0
    7.1746   14.9453   -2.7182 C   0  0  0  0  0
    8.2925   14.9103   -3.5646 C   0  0  0  0  0
    8.9407   16.0911   -3.9444 C   0  0  0  0  0
    8.4805   17.3220   -3.4842 C   0  0  0  0  0
    7.3729   17.3770   -2.6439 C   0  0  0  0  0
    6.7276   16.1974   -2.2656 C   0  0  0  0  0
    3.0247   13.2597    0.3178 O   0  0  0  0  0
    3.0047   14.5805   -0.2125 C   0  0  0  0  0
   -2.6929    8.9871   -3.7577 O   0  0  0  0  0
   -4.1101    9.0112   -3.6757 C   0  0  0  0  0
   -3.7585    4.9878   -1.2569 H   0  0  0  0  0
   -5.3271    5.7984   -1.3279 H   0  0  0  0  0
   -4.1814    6.2931   -0.0782 H   0  0  0  0  0
   -0.3055    9.4855   -3.4064 H   0  0  0  0  0
    2.1757    8.1276   -2.6532 H   0  0  0  0  0
    1.7052    9.6803   -1.9334 H   0  0  0  0  0
    2.7662    6.5464    0.6619 H   0  0  0  0  0
    2.5008    6.1973   -1.0483 H   0  0  0  0  0
    0.4514    7.0123    1.0780 H   0  0  0  0  0
    0.5413    5.4915    0.1705 H   0  0  0  0  0
   -1.8938    5.9879   -0.2907 H   0  0  0  0  0
    4.2737    7.9244   -1.4653 H   0  0  0  0  0
    4.3477    8.2157    0.2734 H   0  0  0  0  0
    2.6829   10.7511    0.4682 H   0  0  0  0  0
    5.8811    9.5433   -2.1788 H   0  0  0  0  0
    7.4521   11.9315   -3.1782 H   0  0  0  0  0
    8.6762   13.9654   -3.9396 H   0  0  0  0  0
    9.8066   16.0473   -4.6003 H   0  0  0  0  0
    8.9849   18.2401   -3.7789 H   0  0  0  0  0
    7.0097   18.3328   -2.2806 H   0  0  0  0  0
    5.8651   16.2676   -1.6053 H   0  0  0  0  0
    2.1822   15.1182    0.2681 H   0  0  0  0  0
    2.8136   14.5814   -1.2912 H   0  0  0  0  0
    3.9285   15.1125    0.0318 H   0  0  0  0  0
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   -4.4589    9.2735   -2.6714 H   0  0  0  0  0
   -4.5356    8.0654   -4.0236 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
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  3 12  1  0  0  0
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  5  6  2  0  0  0
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  6 11  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 37  1  0  0  0
  7 38  1  0  0  0
  8  9  1  0  0  0
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 32 59  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL248064

>  <PubChem CID>
44438173

>  <Formula>
C27H27NO4

>  <Molecular Weight>
429.516000

>  <IUPAC Name>
6,7-dimethoxy-2-[(7-methoxy-2-phenyl-1-benzofuran-5-yl)methyl]-3,4-dihydro-1H-isoquinoline

>  <XlogP>
5.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
COC1=C(C=C2CN(CCC2=C1)CC3=CC(=C4C(=C3)C=C(O4)C5=CC=CC=C5)OC)OC

>  <Isomeric SMILES>
COC1=C(C=C2CN(CCC2=C1)CC3=CC(=C4C(=C3)C=C(O4)C5=CC=CC=C5)OC)OC

>  <InChI Std. ID>
InChI=1S/C27H27NO4/c1-29-24-13-20-9-10-28(17-22(20)15-25(24)30-2)16-18-11-21-14-23(19-7-5-4-6-8-19)32-27(21)26(12-18)31-3/h4-8,11-15H,9-10,16-17H2,1-3H3

>  <InChI Key>
CFGJMINARVBJLW-UHFFFAOYSA-N

