
 CHEMBL3633652

 44 46  0  0  0  0  0  0  0  0999 V2000
    3.8450   -0.8333    0.7118 C   0  0  0  0  0
    3.6449   -0.2723   -0.6304 N   0  0  0  0  0
    2.7288   -1.1569   -1.3961 C   0  0  0  0  0
    2.5854   -0.7048   -2.8593 C   0  0  0  0  0
    3.5722   -0.5148   -3.5729 O   0  0  0  0  0
    1.2353   -0.4382   -3.3620 C   0  0  0  0  0
    0.0682   -1.0651   -2.9616 C   0  0  0  0  0
   -0.9777   -0.5105   -3.6514 N   0  0  0  0  0
   -0.5242    0.4828   -4.4862 C   0  0  0  0  0
   -1.2336    1.3302   -5.3455 C   0  0  0  0  0
   -0.5017    2.2644   -6.0841 C   0  0  0  0  0
    0.8840    2.3403   -5.9725 C   0  0  0  0  0
    1.5769    1.4828   -5.1109 C   0  0  0  0  0
    0.8628    0.5355   -4.3466 C   0  0  0  0  0
    3.0984    1.1060   -0.5367 C   0  0  0  0  0
    4.1158    2.0820    0.0784 C   0  0  0  0  0
    3.9573    2.4736    1.2391 O   0  0  0  0  0
    5.1933    2.4916   -0.6937 N   0  0  0  0  0
    6.0808    3.5363   -0.1821 C   0  0  0  0  0
    7.5264    3.3149   -0.6355 C   0  0  0  0  0
    7.6091    3.1696   -2.0617 O   0  0  0  0  0
    6.8353    2.0382   -2.4907 C   0  0  0  0  0
    5.3589    2.2084   -2.1233 C   0  0  0  0  0
    4.5818   -0.2566    1.2806 H   0  0  0  0  0
    4.2409   -1.8529    0.6457 H   0  0  0  0  0
    2.9117   -0.8674    1.2863 H   0  0  0  0  0
    1.7540   -1.2054   -0.8994 H   0  0  0  0  0
    3.1339   -2.1760   -1.4339 H   0  0  0  0  0
   -0.1151   -1.8641   -2.2551 H   0  0  0  0  0
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   -2.3133    1.2743   -5.4369 H   0  0  0  0  0
   -1.0232    2.9412   -6.7572 H   0  0  0  0  0
    1.4356    3.0717   -6.5581 H   0  0  0  0  0
    2.6591    1.5500   -5.0315 H   0  0  0  0  0
    2.1864    1.1264    0.0744 H   0  0  0  0  0
    2.8148    1.5077   -1.5153 H   0  0  0  0  0
    6.0351    3.5956    0.9096 H   0  0  0  0  0
    5.7058    4.4837   -0.5880 H   0  0  0  0  0
    8.1428    4.1736   -0.3519 H   0  0  0  0  0
    7.9547    2.4234   -0.1619 H   0  0  0  0  0
    6.9436    1.9505   -3.5763 H   0  0  0  0  0
    7.2505    1.1300   -2.0377 H   0  0  0  0  0
    4.9374    3.0682   -2.6577 H   0  0  0  0  0
    4.8085    1.3220   -2.4256 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2 15  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 27  1  0  0  0
  3 28  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6 14  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  7 29  1  0  0  0
  8  9  1  0  0  0
  8 30  1  0  0  0
  9 14  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
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 11 12  2  0  0  0
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 12 13  1  0  0  0
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 23 44  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3633652

>  <PubChem CID>
122195443

>  <Formula>
C17H21N3O3

>  <Molecular Weight>
315.373000

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

>  <XlogP>
1.300

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN(CC(=O)C1=CNC2=CC=CC=C21)CC(=O)N3CCOCC3

>  <Isomeric SMILES>
CN(CC(=O)C1=CNC2=CC=CC=C21)CC(=O)N3CCOCC3

>  <InChI Std. ID>
InChI=1S/C17H21N3O3/c1-19(12-17(22)20-6-8-23-9-7-20)11-16(21)14-10-18-15-5-3-2-4-13(14)15/h2-5,10,18H,6-9,11-12H2,1H3

>  <InChI Key>
CJHGLBOYXWSMGF-UHFFFAOYSA-N

