
 CHEMBL120055

 57 60  0  0  0  0  0  0  0  0999 V2000
    5.2154   -7.0370   -5.6483 C   0  0  0  0  0
    3.8855   -6.7506   -6.2932 C   0  0  0  0  0
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    2.3332   -5.2764   -1.4938 N   0  0  0  0  0
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    1.9936   -9.3217    3.4764 C   0  0  0  0  0
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   -4.8420   -8.8087    2.1149 N   0  0  0  0  0
    5.9683   -7.3097   -6.3961 H   0  0  0  0  0
    5.1309   -7.8712   -4.9463 H   0  0  0  0  0
    5.5930   -6.1527   -5.1254 H   0  0  0  0  0
    4.4858   -7.6580   -8.1694 H   0  0  0  0  0
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    0.5326   -6.0162   -8.1228 H   0  0  0  0  0
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    3.3272   -7.7583   -3.5958 H   0  0  0  0  0
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    2.7887   -7.3372   -1.2074 H   0  0  0  0  0
    4.1181   -6.3076   -1.7476 H   0  0  0  0  0
    2.1812   -3.2340   -2.0321 H   0  0  0  0  0
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    1.2655   -4.5565   -3.8976 H   0  0  0  0  0
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   -5.2586   -7.9086    2.3526 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  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 33  1  0  0  0
  4  5  2  0  0  0
  4 34  1  0  0  0
  5  6  1  0  0  0
  5 35  1  0  0  0
  6  7  2  0  0  0
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  7  8  1  0  0  0
  8 13  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 37  1  0  0  0
  9 38  1  0  0  0
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 29 57  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL120055

>  <PubChem CID>
10385855

>  <Formula>
C23H28N4O2

>  <Molecular Weight>
392.503000

>  <IUPAC Name>
2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone

>  <XlogP>
2.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CC=CC=C1N2CCN(CC2)C(=O)COC3=CC4=C(C=C3)NC=C4CCN

>  <Isomeric SMILES>
CC1=CC=CC=C1N2CCN(CC2)C(=O)COC3=CC4=C(C=C3)NC=C4CCN

>  <InChI Std. ID>
InChI=1S/C23H28N4O2/c1-17-4-2-3-5-22(17)26-10-12-27(13-11-26)23(28)16-29-19-6-7-21-20(14-19)18(8-9-24)15-25-21/h2-7,14-15,25H,8-13,16,24H2,1H3

>  <InChI Key>
DWSOZYFSYVOVOC-UHFFFAOYSA-N

