
 CHEMBL3633665

 55 58  0  0  0  0  0  0  0  0999 V2000
    1.6149   -0.8694    0.2729 C   0  0  0  0  0
    3.0566   -0.6609    0.4376 N   0  0  0  0  0
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    6.4182   -4.2280    1.6515 C   0  0  0  0  0
    6.0444   -5.5171    2.1555 O   0  0  0  0  0
    4.6248   -5.6962    2.0820 C   0  0  0  0  0
    4.1068   -5.5147    0.6434 C   0  0  0  0  0
    3.4252    0.6448   -0.1772 C   0  0  0  0  0
    4.8657    1.0884    0.1409 C   0  0  0  0  0
    5.4368    0.7443    1.1774 O   0  0  0  0  0
    5.5699    1.9236   -0.8490 C   0  0  0  0  0
    5.0438    2.9005   -1.6993 C   0  0  0  0  0
    6.0977    3.3775   -2.4529 N   0  0  0  0  0
    7.2689    2.7372   -2.1491 C   0  0  0  0  0
    8.5475    2.8934   -2.6977 C   0  0  0  0  0
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    6.9825    1.8398   -1.1259 C   0  0  0  0  0
    3.7075    3.4791   -1.8768 C   0  0  0  0  0
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    1.6473    4.3877   -0.9623 C   0  0  0  0  0
    2.9265    3.8543   -0.7781 C   0  0  0  0  0
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    1.3321   -0.9764   -0.7805 H   0  0  0  0  0
    4.8972   -1.4939   -0.1287 H   0  0  0  0  0
    3.5765   -1.8968   -1.2182 H   0  0  0  0  0
    2.6235   -3.4105    0.5190 H   0  0  0  0  0
    3.8898   -2.9648    1.6552 H   0  0  0  0  0
    6.2772   -3.0768   -0.1870 H   0  0  0  0  0
    6.4315   -4.7968   -0.4210 H   0  0  0  0  0
    7.5107   -4.1683    1.6848 H   0  0  0  0  0
    6.0278   -3.4502    2.3172 H   0  0  0  0  0
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    4.1377   -5.0053    2.7793 H   0  0  0  0  0
    4.5364   -6.3096    0.0196 H   0  0  0  0  0
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    2.7745    1.4126    0.2505 H   0  0  0  0  0
    3.2733    0.6045   -1.2616 H   0  0  0  0  0
    6.0205    4.1168   -3.1368 H   0  0  0  0  0
    8.7415    3.6005   -3.4978 H   0  0  0  0  0
   10.5794    2.1946   -2.5849 H   0  0  0  0  0
   10.1408    0.5915   -0.7561 H   0  0  0  0  0
    7.8623    0.3468    0.1871 H   0  0  0  0  0
    3.7808    3.4323   -4.0467 H   0  0  0  0  0
    1.5575    4.4350   -4.3570 H   0  0  0  0  0
    0.1618    5.0171   -2.3906 H   0  0  0  0  0
    1.0396    4.6495   -0.0995 H   0  0  0  0  0
    3.3025    3.7366    0.2361 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 11  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  5  1  0  0  0
  4 34  1  0  0  0
  4 35  1  0  0  0
  5 10  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  6 36  1  0  0  0
  6 37  1  0  0  0
  7  8  1  0  0  0
  7 38  1  0  0  0
  7 39  1  0  0  0
  8  9  1  0  0  0
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  9 40  1  0  0  0
  9 41  1  0  0  0
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 12 13  2  0  0  0
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 15 16  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3633665

>  <PubChem CID>
122195454

>  <Formula>
C23H27N3O2

>  <Molecular Weight>
377.488000

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

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN(CCN1CCOCC1)CC(=O)C2=C(NC3=CC=CC=C32)C4=CC=CC=C4

>  <Isomeric SMILES>
CN(CCN1CCOCC1)CC(=O)C2=C(NC3=CC=CC=C32)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C23H27N3O2/c1-25(11-12-26-13-15-28-16-14-26)17-21(27)22-19-9-5-6-10-20(19)24-23(22)18-7-3-2-4-8-18/h2-10,24H,11-17H2,1H3

>  <InChI Key>
BEQQTFBHBHMGEU-UHFFFAOYSA-N

