
 CHEMBL3633661

 51 54  0  0  0  0  0  0  0  0999 V2000
    2.6712   -0.9005    0.1350 C   0  0  0  0  0
    2.6093    0.5362   -0.1110 N   0  0  0  0  0
    1.2886    1.1637   -0.0182 C   0  0  0  0  0
    0.7911    1.3024    1.4336 C   0  0  0  0  0
    0.2054    0.3505    1.9626 O   0  0  0  0  0
    1.0653    2.4637    2.1477 N   0  0  0  0  0
    0.3738    2.6629    3.4257 C   0  0  0  0  0
    1.1633    3.5620    4.3819 C   0  0  0  0  0
    1.5491    4.7911    3.7506 O   0  0  0  0  0
    2.3717    4.5211    2.6079 C   0  0  0  0  0
    1.6079    3.6962    1.5687 C   0  0  0  0  0
    3.6880    1.3156   -0.5166 C   0  0  0  0  0
    3.5646    2.4956   -0.8415 O   0  0  0  0  0
    5.0074    0.7082   -0.5287 C   0  0  0  0  0
    5.5851    0.0011   -1.5812 C   0  0  0  0  0
    6.8649   -0.3163   -1.1719 N   0  0  0  0  0
    7.1277    0.1700    0.0864 C   0  0  0  0  0
    8.2934    0.1039    0.8586 C   0  0  0  0  0
    8.2753    0.7222    2.1131 C   0  0  0  0  0
    7.1353    1.3746    2.5761 C   0  0  0  0  0
    5.9788    1.4287    1.7910 C   0  0  0  0  0
    5.9754    0.8185    0.5191 C   0  0  0  0  0
    5.0776   -0.3625   -2.9106 C   0  0  0  0  0
    5.4409   -1.5769   -3.5118 C   0  0  0  0  0
    4.9593   -1.9212   -4.7788 C   0  0  0  0  0
    4.1004   -1.0608   -5.4577 C   0  0  0  0  0
    3.7299    0.1471   -4.8746 C   0  0  0  0  0
    4.2216    0.4960   -3.6141 C   0  0  0  0  0
    3.6904   -1.2877    0.1608 H   0  0  0  0  0
    2.1305   -1.4071   -0.6713 H   0  0  0  0  0
    2.1929   -1.1336    1.0894 H   0  0  0  0  0
    0.5744    0.5242   -0.5531 H   0  0  0  0  0
    1.2527    2.1292   -0.5313 H   0  0  0  0  0
    0.1569    1.7059    3.9103 H   0  0  0  0  0
   -0.5839    3.1390    3.1810 H   0  0  0  0  0
    0.5463    3.8145    5.2501 H   0  0  0  0  0
    2.0627    3.0530    4.7475 H   0  0  0  0  0
    2.6760    5.4797    2.1764 H   0  0  0  0  0
    3.2794    3.9992    2.9355 H   0  0  0  0  0
    0.7525    4.2653    1.1876 H   0  0  0  0  0
    2.2687    3.4840    0.7378 H   0  0  0  0  0
    7.5438   -0.7980   -1.7429 H   0  0  0  0  0
    9.1868   -0.3962    0.4995 H   0  0  0  0  0
    9.1679    0.6979    2.7343 H   0  0  0  0  0
    7.1441    1.8531    3.5525 H   0  0  0  0  0
    5.0967    1.9471    2.1560 H   0  0  0  0  0
    6.0916   -2.2803   -2.9990 H   0  0  0  0  0
    5.2516   -2.8643   -5.2333 H   0  0  0  0  0
    3.7218   -1.3290   -6.4404 H   0  0  0  0  0
    3.0628    0.8259   -5.3998 H   0  0  0  0  0
    3.9356    1.4608   -3.2023 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2 12  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 32  1  0  0  0
  3 33  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6 11  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 34  1  0  0  0
  7 35  1  0  0  0
  8  9  1  0  0  0
  8 36  1  0  0  0
  8 37  1  0  0  0
  9 10  1  0  0  0
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 10 39  1  0  0  0
 11 40  1  0  0  0
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 12 14  1  0  0  0
 12 13  2  0  0  0
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 14 15  2  0  0  0
 15 16  1  0  0  0
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 23 28  1  0  0  0
 24 25  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3633661

>  <PubChem CID>
122195451

>  <Formula>
C22H23N3O3

>  <Molecular Weight>
377.444000

>  <IUPAC Name>
N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-2-phenyl-1H-indole-3-carboxamide

>  <XlogP>
2.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN(CC(=O)N1CCOCC1)C(=O)C2=C(NC3=CC=CC=C32)C4=CC=CC=C4

>  <Isomeric SMILES>
CN(CC(=O)N1CCOCC1)C(=O)C2=C(NC3=CC=CC=C32)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C22H23N3O3/c1-24(15-19(26)25-11-13-28-14-12-25)22(27)20-17-9-5-6-10-18(17)23-21(20)16-7-3-2-4-8-16/h2-10,23H,11-15H2,1H3

>  <InChI Key>
QOTNSTDOIMKWOE-UHFFFAOYSA-N

