
 CHEMBL62247

 56 60  0  0  0  0  0  0  0  0999 V2000
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    8.5231    2.4730   -0.8906 C   0  0  0  0  0
    8.5949    3.7700   -1.5714 N   0  0  0  0  0
    7.7945    4.7718   -0.8624 C   0  0  0  0  0
    6.3055    4.4178   -0.9373 C   0  0  0  0  0
   10.0028    4.1695   -1.6172 C   0  0  0  0  0
   10.9035    3.0676   -2.1217 C   0  0  0  0  0
   10.3981    1.7512   -2.1249 C   0  0  0  0  0
    9.1415    1.4387   -1.6716 O   0  0  0  0  0
   11.1322    0.6812   -2.6232 C   0  0  0  0  0
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   12.9399    2.1706   -3.0785 C   0  0  0  0  0
   12.2404    3.2745   -2.5800 C   0  0  0  0  0
   13.1307    4.4157   -2.6888 C   0  0  0  0  0
   14.3068    3.9554   -3.2806 C   0  0  0  0  0
   14.1670    2.6122   -3.5039 N   0  0  0  0  0
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   12.8790    5.7920   -2.2536 C   0  0  0  0  0
   12.0679    6.0931   -1.3856 O   0  0  0  0  0
   13.6334    6.7129   -2.9255 O   0  0  0  0  0
   13.3371    8.0863   -2.6362 C   0  0  0  0  0
   14.0437    8.5421   -1.3730 C   0  0  0  0  0
    0.9051   -1.4876   -0.5462 H   0  0  0  0  0
    0.9627    0.1728   -1.1836 H   0  0  0  0  0
    0.7212   -0.0882    0.5402 H   0  0  0  0  0
    3.2355   -0.8145   -1.0374 H   0  0  0  0  0
    3.0139   -1.0620    0.7262 H   0  0  0  0  0
    3.9089    3.2700   -0.3491 H   0  0  0  0  0
    7.6006   -0.0354   -0.2472 H   0  0  0  0  0
    5.3176   -0.7521    0.2311 H   0  0  0  0  0
    9.0254    2.5120    0.0892 H   0  0  0  0  0
    7.9326    5.7614   -1.3158 H   0  0  0  0  0
    8.1072    4.8529    0.1879 H   0  0  0  0  0
    5.7517    5.0740   -0.2553 H   0  0  0  0  0
    5.9357    4.5994   -1.9543 H   0  0  0  0  0
   10.3551    4.4638   -0.6207 H   0  0  0  0  0
   10.0789    5.0232   -2.2989 H   0  0  0  0  0
   10.6940   -0.3136   -2.6316 H   0  0  0  0  0
   12.9886    0.0399   -3.5132 H   0  0  0  0  0
   14.8695    2.0143   -3.9177 H   0  0  0  0  0
   16.3377    3.9452   -3.9781 H   0  0  0  0  0
   15.9736    5.1909   -2.7781 H   0  0  0  0  0
   15.3976    5.3649   -4.4534 H   0  0  0  0  0
   12.2542    8.2474   -2.5717 H   0  0  0  0  0
   13.6957    8.6746   -3.4874 H   0  0  0  0  0
   13.7024    7.9774   -0.5002 H   0  0  0  0  0
   13.8582    9.6046   -1.1907 H   0  0  0  0  0
   15.1229    8.3797   -1.4558 H   0  0  0  0  0
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  1 33  1  0  0  0
  2  3  1  0  0  0
  2 34  1  0  0  0
  2 35  1  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 36  1  0  0  0
  6  7  2  0  0  0
  6 13  1  0  0  0
  7  8  1  0  0  0
  7 10  1  0  0  0
  8  9  2  0  0  0
  8 37  1  0  0  0
  9 38  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL62247

>  <PubChem CID>
44302775

>  <Formula>
C24H26N2O4

>  <Molecular Weight>
406.482000

>  <IUPAC Name>


>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCOC1=CC2=C(C=C1)C3N(CC2)CC4=C(O3)C=CC5=C4C(=C(N5)C)C(=O)OCC

>  <Isomeric SMILES>
CCOC1=CC2=C(C=C1)C3N(CC2)CC4=C(O3)C=CC5=C4C(=C(N5)C)C(=O)OCC

>  <InChI Std. ID>
InChI=1S/C24H26N2O4/c1-4-28-16-6-7-17-15(12-16)10-11-26-13-18-20(30-23(17)26)9-8-19-22(18)21(14(3)25-19)24(27)29-5-2/h6-9,12,23,25H,4-5,10-11,13H2,1-3H3

>  <InChI Key>
BDIZCMDNZUBLMP-UHFFFAOYSA-N

