
 CHEMBL3633654

 58 61  0  0  0  0  0  0  0  0999 V2000
    4.5254    1.3988    1.9848 C   0  0  0  0  0
    4.0374    1.0414    0.6436 N   0  0  0  0  0
    3.0104   -0.0220    0.7874 C   0  0  0  0  0
    2.4177   -0.4945   -0.5447 C   0  0  0  0  0
    1.4981    0.1640   -1.0453 O   0  0  0  0  0
    2.9402   -1.6709   -1.2629 C   0  0  0  0  0
    3.5086   -2.8417   -0.7526 C   0  0  0  0  0
    3.7900   -3.6519   -1.8346 N   0  0  0  0  0
    3.4563   -3.0550   -3.0178 C   0  0  0  0  0
    2.9128   -1.8146   -2.7040 C   0  0  0  0  0
    2.4760   -0.9916   -3.7731 C   0  0  0  0  0
    2.6013   -1.4354   -5.0963 C   0  0  0  0  0
    3.1484   -2.6912   -5.3580 C   0  0  0  0  0
    3.5850   -3.5262   -4.3275 C   0  0  0  0  0
    2.2261   -0.7402   -6.2151 O   0  0  0  0  0
    1.6981    0.5644   -6.0138 C   0  0  0  0  0
    3.7831   -3.3399    0.5971 C   0  0  0  0  0
    2.8142   -3.2887    1.6069 C   0  0  0  0  0
    3.1127   -3.7373    2.8968 C   0  0  0  0  0
    4.3651   -4.2814    3.1777 C   0  0  0  0  0
    5.3223   -4.3772    2.1716 C   0  0  0  0  0
    5.0353   -3.9023    0.8909 C   0  0  0  0  0
    3.4942    2.2416   -0.0401 C   0  0  0  0  0
    4.5679    3.3216   -0.2496 C   0  0  0  0  0
    4.4460    4.4207    0.2999 O   0  0  0  0  0
    5.6292    3.0389   -1.0986 N   0  0  0  0  0
    5.9649    1.7069   -1.6168 C   0  0  0  0  0
    6.5492    1.7953   -3.0300 C   0  0  0  0  0
    7.6424    2.7228   -3.0949 O   0  0  0  0  0
    7.2140    4.0340   -2.6931 C   0  0  0  0  0
    6.7001    4.0232   -1.2524 C   0  0  0  0  0
    4.9525    0.5199    2.4809 H   0  0  0  0  0
    3.7260    1.7974    2.6205 H   0  0  0  0  0
    5.3307    2.1387    1.9372 H   0  0  0  0  0
    2.1742    0.3182    1.4129 H   0  0  0  0  0
    3.4715   -0.8560    1.3071 H   0  0  0  0  0
    4.1770   -4.5829   -1.7663 H   0  0  0  0  0
    2.0430   -0.0261   -3.5373 H   0  0  0  0  0
    3.2353   -3.0294   -6.3892 H   0  0  0  0  0
    4.0055   -4.5030   -4.5462 H   0  0  0  0  0
    2.4352    1.2186   -5.5366 H   0  0  0  0  0
    1.4675    0.9856   -6.9973 H   0  0  0  0  0
    0.7665    0.5295   -5.4398 H   0  0  0  0  0
    1.8251   -2.8850    1.4056 H   0  0  0  0  0
    2.3668   -3.6622    3.6841 H   0  0  0  0  0
    4.5945   -4.6337    4.1805 H   0  0  0  0  0
    6.2954   -4.8129    2.3837 H   0  0  0  0  0
    5.8079   -3.9649    0.1274 H   0  0  0  0  0
    2.6656    2.6796    0.5307 H   0  0  0  0  0
    3.1140    2.0063   -1.0396 H   0  0  0  0  0
    5.1003    1.0434   -1.6364 H   0  0  0  0  0
    6.7095    1.2860   -0.9297 H   0  0  0  0  0
    6.9217    0.8141   -3.3405 H   0  0  0  0  0
    5.7787    2.1031   -3.7468 H   0  0  0  0  0
    8.0705    4.7085   -2.7833 H   0  0  0  0  0
    6.4360    4.3818   -3.3836 H   0  0  0  0  0
    6.3660    5.0242   -0.9634 H   0  0  0  0  0
    7.5036    3.7224   -0.5688 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2 23  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 35  1  0  0  0
  3 36  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6 10  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  7 17  1  0  0  0
  8  9  1  0  0  0
  8 37  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 38  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  2  0  0  0
 13 39  1  0  0  0
 14 40  1  0  0  0
 15 16  1  0  0  0
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 16 42  1  0  0  0
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 17 22  1  0  0  0
 18 19  1  0  0  0
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 27 28  1  0  0  0
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 29 30  1  0  0  0
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 31 57  1  0  0  0
 31 58  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3633654

>  <PubChem CID>
122195445

>  <Formula>
C24H27N3O4

>  <Molecular Weight>
421.497000

>  <IUPAC Name>
1-(5-methoxy-2-phenyl-1H-indol-3-yl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]ethanone

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN(CC(=O)C1=C(NC2=C1C=C(C=C2)OC)C3=CC=CC=C3)CC(=O)N4CCOCC4

>  <Isomeric SMILES>
CN(CC(=O)C1=C(NC2=C1C=C(C=C2)OC)C3=CC=CC=C3)CC(=O)N4CCOCC4

>  <InChI Std. ID>
InChI=1S/C24H27N3O4/c1-26(16-22(29)27-10-12-31-13-11-27)15-21(28)23-19-14-18(30-2)8-9-20(19)25-24(23)17-6-4-3-5-7-17/h3-9,14,25H,10-13,15-16H2,1-2H3

>  <InChI Key>
LYIHJKGXTOKLHM-UHFFFAOYSA-N

