
 CHEMBL3415012

 60 63  0  0  0  0  0  0  0  0999 V2000
    7.9148    2.3028   -0.0218 C   0  0  0  0  0
    6.9718    1.2426    0.1219 O   0  0  0  0  0
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    9.5170   -2.9874   -1.8443 C   0  0  0  0  0
   10.8228   -2.7681   -2.4327 N   0  0  0  0  0
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    8.7842    1.9040   -0.5541 H   0  0  0  0  0
    8.2544    2.6510    0.9581 H   0  0  0  0  0
    7.5134    3.1338   -0.6130 H   0  0  0  0  0
    6.2135    2.9935    1.9534 H   0  0  0  0  0
    3.8976    3.6475    2.4548 H   0  0  0  0  0
    2.0220    2.6507    1.1687 H   0  0  0  0  0
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    3.5073   -1.3120   -0.5372 H   0  0  0  0  0
    5.2204   -1.4734   -0.1401 H   0  0  0  0  0
    4.5429   -3.3033   -1.6469 H   0  0  0  0  0
    3.7850   -2.1876   -2.7565 H   0  0  0  0  0
    6.8168   -0.7160   -4.0803 H   0  0  0  0  0
    5.0784   -0.6864   -4.0894 H   0  0  0  0  0
    6.8857    0.1723   -1.8068 H   0  0  0  0  0
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   14.5297   -6.3369    0.1285 H   0  0  0  0  0
   13.6384   -4.0958   -0.4327 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
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  5  6  2  0  0  0
  5 35  1  0  0  0
  6  7  1  0  0  0
  6 36  1  0  0  0
  7  8  2  0  0  0
  7 37  1  0  0  0
  8  9  1  0  0  0
  9 14  1  0  0  0
  9 10  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3415012

>  <PubChem CID>
73438501

>  <Formula>
C24H30N4O2

>  <Molecular Weight>
406.530000

>  <IUPAC Name>
2-(1H-indol-3-yl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]acetamide

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
COC1=CC=CC=C1N2CCN(CC2)CCCNC(=O)CC3=CNC4=CC=CC=C43

>  <Isomeric SMILES>
COC1=CC=CC=C1N2CCN(CC2)CCCNC(=O)CC3=CNC4=CC=CC=C43

>  <InChI Std. ID>
InChI=1S/C24H30N4O2/c1-30-23-10-5-4-9-22(23)28-15-13-27(14-16-28)12-6-11-25-24(29)17-19-18-26-21-8-3-2-7-20(19)21/h2-5,7-10,18,26H,6,11-17H2,1H3,(H,25,29)

>  <InChI Key>
APDVLSKJSJILHD-UHFFFAOYSA-N

