
 CHEMBL268382

 55 58  0  0  0  0  0  0  0  0999 V2000
    2.1860   -1.2641   -0.3767 C   0  0  0  0  0
    2.5412   -0.4017    0.6986 O   0  0  0  0  0
    3.0074    0.8331    0.3384 C   0  0  0  0  0
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    4.1120    3.3589   -0.1898 C   0  0  0  0  0
    4.3708    2.7178    1.0256 C   0  0  0  0  0
    3.8123    1.4645    1.2886 C   0  0  0  0  0
    4.7427    4.6563   -0.5013 C   0  0  0  0  0
    4.1146    5.8224   -0.2419 C   0  0  0  0  0
    2.7725    6.0044    0.3924 C   0  0  0  0  0
    1.8859    6.6010   -0.5772 N   0  0  0  0  0
    0.5409    6.6826   -0.3086 C   0  0  0  0  0
    0.0274    6.1551    0.6735 O   0  0  0  0  0
   -0.2300    7.4911   -1.2263 C   0  0  0  0  0
    0.0490    8.0337   -2.4693 C   0  0  0  0  0
   -1.0805    8.7963   -2.8866 C   0  0  0  0  0
   -1.3723    9.5802   -4.0206 C   0  0  0  0  0
   -2.6067   10.2355   -4.0994 C   0  0  0  0  0
   -3.5447   10.1147   -3.0752 C   0  0  0  0  0
   -3.2822    9.3302   -1.9485 C   0  0  0  0  0
   -2.0426    8.6852   -1.8876 C   0  0  0  0  0
   -1.5213    7.8612   -0.9210 N   0  0  0  0  0
    6.0747    4.7404   -1.1350 C   0  0  0  0  0
    6.1855    4.7750   -2.5298 C   0  0  0  0  0
    7.4428    4.8211   -3.1400 C   0  0  0  0  0
    8.5988    4.8306   -2.3590 C   0  0  0  0  0
    8.4882    4.8221   -0.9667 C   0  0  0  0  0
    7.2339    4.7696   -0.3541 C   0  0  0  0  0
    9.8785    4.8775   -2.8397 O   0  0  0  0  0
   10.0614    4.3884   -4.1636 C   0  0  0  0  0
    2.0123   -2.2615    0.0386 H   0  0  0  0  0
    2.9980   -1.3445   -1.1081 H   0  0  0  0  0
    1.2571   -0.9368   -0.8539 H   0  0  0  0  0
    2.0678    1.0447   -1.6068 H   0  0  0  0  0
    3.0463    3.2372   -2.0661 H   0  0  0  0  0
    5.0139    3.1809    1.7692 H   0  0  0  0  0
    4.0221    0.9674    2.2324 H   0  0  0  0  0
    4.6288    6.7528   -0.4821 H   0  0  0  0  0
    2.8562    6.6928    1.2409 H   0  0  0  0  0
    2.3307    5.0766    0.7658 H   0  0  0  0  0
    2.2708    7.2309   -1.2651 H   0  0  0  0  0
    0.9677    7.9139   -3.0282 H   0  0  0  0  0
   -0.6479    9.6845   -4.8225 H   0  0  0  0  0
   -2.8355   10.8490   -4.9675 H   0  0  0  0  0
   -4.4961   10.6367   -3.1514 H   0  0  0  0  0
   -4.0136    9.2336   -1.1530 H   0  0  0  0  0
   -1.9930    7.5821   -0.0716 H   0  0  0  0  0
    5.2921    4.7602   -3.1492 H   0  0  0  0  0
    7.4854    4.8580   -4.2230 H   0  0  0  0  0
    9.3867    4.8392   -0.3550 H   0  0  0  0  0
    7.1703    4.7425    0.7305 H   0  0  0  0  0
   11.1373    4.3512   -4.3595 H   0  0  0  0  0
    9.6149    5.0623   -4.9013 H   0  0  0  0  0
    9.6667    3.3717   -4.2676 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  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
  4 35  1  0  0  0
  5  6  2  0  0  0
  5 36  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  7 37  1  0  0  0
  8 38  1  0  0  0
  9 24  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 39  1  0  0  0
 11 12  1  0  0  0
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 12 13  1  0  0  0
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 13 14  2  0  0  0
 15 23  1  0  0  0
 15 16  2  0  0  0
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 17 18  2  0  0  0
 18 19  1  0  0  0
 18 44  1  0  0  0
 19 20  2  0  0  0
 19 45  1  0  0  0
 20 21  1  0  0  0
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 21 22  2  0  0  0
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 23 48  1  0  0  0
 24 25  2  0  0  0
 24 29  1  0  0  0
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 27 28  1  0  0  0
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 31 55  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL268382

>  <PubChem CID>
44265970

>  <Formula>
C26H24N2O3

>  <Molecular Weight>
412.489000

>  <IUPAC Name>
N-[3,3-bis(4-methoxyphenyl)prop-2-enyl]-1H-indole-2-carboxamide

>  <XlogP>
6.000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
COC1=CC=C(C=C1)C(=CCNC(=O)C2=CC3=CC=CC=C3N2)C4=CC=C(C=C4)OC

>  <Isomeric SMILES>
COC1=CC=C(C=C1)C(=CCNC(=O)C2=CC3=CC=CC=C3N2)C4=CC=C(C=C4)OC

>  <InChI Std. ID>
InChI=1S/C26H24N2O3/c1-30-21-11-7-18(8-12-21)23(19-9-13-22(31-2)14-10-19)15-16-27-26(29)25-17-20-5-3-4-6-24(20)28-25/h3-15,17,28H,16H2,1-2H3,(H,27,29)

>  <InChI Key>
BTZKQHJIBFSOIF-UHFFFAOYSA-N

