
 CHEMBL3633660

 56 59  0  0  0  0  0  0  0  0999 V2000
    1.3205    0.6378    0.7927 C   0  0  0  0  0
    0.1430    1.2506    0.1642 N   0  0  0  0  0
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    0.2607   -3.1969   -4.0986 C   0  0  0  0  0
    0.0089   -2.5408   -2.8880 C   0  0  0  0  0
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   -6.7986   -1.3048   -0.1163 C   0  0  0  0  0
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   -4.3053   -1.9856    0.9299 C   0  0  0  0  0
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   -0.7805    1.7808    1.1883 C   0  0  0  0  0
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    0.4075    2.6794    3.0712 O   0  0  0  0  0
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   -0.4003    6.5355    2.3065 C   0  0  0  0  0
    0.4961    5.2975    2.2095 C   0  0  0  0  0
    1.9640    1.4069    1.2334 H   0  0  0  0  0
    1.9399    0.1194    0.0520 H   0  0  0  0  0
    1.0577   -0.0720    1.5845 H   0  0  0  0  0
    0.2034    0.0446   -1.5301 H   0  0  0  0  0
   -1.3137    0.8635   -1.2885 H   0  0  0  0  0
   -1.8418   -0.7632    0.6096 H   0  0  0  0  0
   -4.4132   -3.0039   -2.8772 H   0  0  0  0  0
   -2.9293   -3.9447   -5.0438 H   0  0  0  0  0
   -0.5757   -4.1867   -5.8125 H   0  0  0  0  0
    1.2860   -3.3226   -4.4370 H   0  0  0  0  0
    0.8407   -2.1696   -2.2949 H   0  0  0  0  0
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    1.3965    5.5354    1.6294 H   0  0  0  0  0
    0.8132    4.9849    3.2084 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2 21  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 33  1  0  0  0
  3 34  1  0  0  0
  4 20  1  0  0  0
  4  5  1  0  0  0
  4 35  1  0  0  0
  5 13  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  6 14  1  0  0  0
  7  8  1  0  0  0
  7 36  1  0  0  0
  8 13  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
  9 37  1  0  0  0
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 29 56  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3633660

>  <PubChem CID>
122195450

>  <Formula>
C23H27N3O3

>  <Molecular Weight>
393.487000

>  <IUPAC Name>
2-[[2-hydroxy-2-(2-phenyl-1H-indol-3-yl)ethyl]-methylamino]-1-morpholin-4-ylethanone

>  <XlogP>
2.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN(CC(C1=C(NC2=CC=CC=C21)C3=CC=CC=C3)O)CC(=O)N4CCOCC4

>  <Isomeric SMILES>
CN(CC(C1=C(NC2=CC=CC=C21)C3=CC=CC=C3)O)CC(=O)N4CCOCC4

>  <InChI Std. ID>
InChI=1S/C23H27N3O3/c1-25(16-21(28)26-11-13-29-14-12-26)15-20(27)22-18-9-5-6-10-19(18)24-23(22)17-7-3-2-4-8-17/h2-10,20,24,27H,11-16H2,1H3

>  <InChI Key>
PLHGVPZUBUWRMO-UHFFFAOYSA-N

