
 CHEMBL248272

 67 70  0  0  0  0  0  0  0  0999 V2000
    5.9757   -1.6302   -0.4201 C   0  0  0  0  0
    7.3868   -1.2539   -0.5520 N   0  0  0  0  0
    7.9677   -1.9382   -1.7109 C   0  0  0  0  0
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   11.5010   10.9521    1.6865 C   0  0  0  0  0
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   10.4171   10.8263    6.5434 C   0  0  0  0  0
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    9.4757    8.6690    7.3288 O   0  0  0  0  0
    8.7607    9.2692    8.4021 C   0  0  0  0  0
   10.4986   11.3260    7.8175 O   0  0  0  0  0
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   10.6854    6.5815    0.0650 O   0  0  0  0  0
   10.8706    5.1860   -0.1210 C   0  0  0  0  0
    5.5485   -1.2450    0.5108 H   0  0  0  0  0
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    9.0393   -1.7208   -1.7883 H   0  0  0  0  0
    7.4857   -1.6434   -2.6506 H   0  0  0  0  0
    6.9500    0.5712   -1.5598 H   0  0  0  0  0
    8.5878    0.4294   -0.9428 H   0  0  0  0  0
    7.8322    0.7068    1.3906 H   0  0  0  0  0
    6.1473    0.8416    0.8569 H   0  0  0  0  0
    8.2801    2.8473    0.5630 H   0  0  0  0  0
    4.9610    5.8330   -0.4766 H   0  0  0  0  0
    7.8756   10.1394   -0.1914 H   0  0  0  0  0
    5.8469    8.7474   -0.4498 H   0  0  0  0  0
   10.4368   10.1459   -0.6118 H   0  0  0  0  0
   11.3891    8.8474    0.0698 H   0  0  0  0  0
   11.5968   11.6382    0.8353 H   0  0  0  0  0
   12.4392   10.3832    1.7456 H   0  0  0  0  0
   10.5696   12.5750    2.7693 H   0  0  0  0  0
   12.2703   12.2934    3.1888 H   0  0  0  0  0
   11.3009   12.5434    5.5546 H   0  0  0  0  0
    9.5612    7.9475    4.9472 H   0  0  0  0  0
   11.2024    8.3756    2.5174 H   0  0  0  0  0
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    8.1131    8.5018    8.8377 H   0  0  0  0  0
    8.1160   10.0899    8.0672 H   0  0  0  0  0
    9.4489    9.5957    9.1875 H   0  0  0  0  0
   10.0740   12.9339    9.0022 H   0  0  0  0  0
    9.3358   13.0121    7.3952 H   0  0  0  0  0
   11.1020   13.3107    7.6185 H   0  0  0  0  0
   10.4921    4.8526   -1.0930 H   0  0  0  0  0
   10.4228    4.6220    0.7039 H   0  0  0  0  0
   11.9467    4.9890   -0.1027 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL248272

>  <PubChem CID>
44438176

>  <Formula>
C26H33N3O5

>  <Molecular Weight>
467.566000

>  <IUPAC Name>
6-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-N-[2-(dimethylamino)ethyl]-7-methoxy-1-benzofuran-2-carboxamide

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CN(C)CCNC(=O)C1=CC2=C(O1)C(=C(C=C2)CN3CCC4=CC(=C(C=C4C3)OC)OC)OC

>  <Isomeric SMILES>
CN(C)CCNC(=O)C1=CC2=C(O1)C(=C(C=C2)CN3CCC4=CC(=C(C=C4C3)OC)OC)OC

>  <InChI Std. ID>
InChI=1S/C26H33N3O5/c1-28(2)11-9-27-26(30)23-13-18-6-7-19(24(33-5)25(18)34-23)15-29-10-8-17-12-21(31-3)22(32-4)14-20(17)16-29/h6-7,12-14H,8-11,15-16H2,1-5H3,(H,27,30)

>  <InChI Key>
AGQQEUUAHFMHGL-UHFFFAOYSA-N

