
 CHEMBL3633655

 54 57  0  0  0  0  0  0  0  0999 V2000
    1.4073    0.3739   -0.0081 C   0  0  0  0  0
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    3.0636   -4.9765   -3.6577 N   0  0  0  0  0
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    4.2137    1.5041   -1.6755 O   0  0  0  0  0
    4.5067    2.7077    0.2469 N   0  0  0  0  0
    5.3275    3.6651   -0.5086 C   0  0  0  0  0
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    4.7345    4.2371    2.2146 C   0  0  0  0  0
    4.6428    2.7931    1.7059 C   0  0  0  0  0
    1.3805    0.8931    0.9574 H   0  0  0  0  0
    0.4911   -0.2213   -0.0305 H   0  0  0  0  0
    1.3565    1.1270   -0.8010 H   0  0  0  0  0
    3.7728   -1.5170   -1.5222 H   0  0  0  0  0
    2.7507   -0.2705   -2.2488 H   0  0  0  0  0
    3.6479   -5.7906   -3.7818 H   0  0  0  0  0
    2.1049   -6.1261   -6.0965 H   0  0  0  0  0
    0.1540   -5.1273   -7.2755 H   0  0  0  0  0
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    5.7000   -5.0250   -2.7243 H   0  0  0  0  0
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    4.9675    3.7502   -1.5394 H   0  0  0  0  0
    6.3358    3.2329   -0.5434 H   0  0  0  0  0
    6.1672    5.6522   -0.3757 H   0  0  0  0  0
    4.4451    5.5866    0.0206 H   0  0  0  0  0
    4.9932    4.2425    3.2783 H   0  0  0  0  0
    3.7736    4.7548    2.1059 H   0  0  0  0  0
    5.5532    2.2432    1.9691 H   0  0  0  0  0
    3.7889    2.3138    2.1903 H   0  0  0  0  0
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  3  4  1  0  0  0
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  3 35  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
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  8  9  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3633655

>  <PubChem CID>
8693156

>  <Formula>
C23H24FN3O3

>  <Molecular Weight>
409.461000

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

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

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

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

>  <InChI Std. ID>
InChI=1S/C23H24FN3O3/c1-26(15-21(29)27-10-12-30-13-11-27)14-20(28)22-18-4-2-3-5-19(18)25-23(22)16-6-8-17(24)9-7-16/h2-9,25H,10-15H2,1H3

>  <InChI Key>
IVHFKWUBKJQNBN-UHFFFAOYSA-N

