
 CHEMBL538569

 70 75  0  0  0  0  0  0  0  0999 V2000
    1.7586    5.5546   -4.6657 C   0  0  0  0  0
    2.0586    6.4082   -3.4459 C   0  0  0  0  0
    2.4688    5.6090   -2.3009 N   0  0  0  0  0
    3.7743    5.2532   -2.0226 C   0  0  0  0  0
    3.7547    4.5007   -0.8489 C   0  0  0  0  0
    4.9760    3.9941   -0.3431 C   0  0  0  0  0
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    6.1656    5.0409   -2.1616 C   0  0  0  0  0
    4.9690    5.5277   -2.7012 C   0  0  0  0  0
    7.3741    3.7872   -0.4081 N   0  0  0  0  0
    8.6689    4.1730   -0.7177 C   0  0  0  0  0
    8.9871    5.0130   -1.5575 O   0  0  0  0  0
    9.7410    3.4926    0.1457 C   0  0  0  0  0
   10.3819    2.3191   -0.5126 N   0  0  0  0  0
   11.4610    1.8589    0.3789 C   0  0  0  0  0
   12.1861    0.6383   -0.1639 C   0  0  0  0  0
   12.7408    0.8004   -1.5822 C   0  0  0  0  0
   11.7720    1.5936   -2.4873 C   0  0  0  0  0
   10.9554    2.7053   -1.8159 C   0  0  0  0  0
   14.1657    1.2243   -1.6489 N   0  0  0  0  0
   15.2282    0.2415   -1.6711 C   0  0  0  0  0
   16.4684    0.6956   -2.1471 C   0  0  0  0  0
   16.5246    2.0836   -2.6785 C   0  0  0  0  0
   15.7929    2.9363   -1.8125 O   0  0  0  0  0
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   13.7243    3.4609   -1.1978 O   0  0  0  0  0
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   15.1491   -1.0959   -1.2202 C   0  0  0  0  0
   13.9666   -1.5836   -0.7280 O   0  0  0  0  0
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    2.3967    4.4362   -0.4027 C   0  0  0  0  0
    1.7671    3.8541    0.7187 C   0  0  0  0  0
    0.3830    3.9750    0.8783 C   0  0  0  0  0
   -0.3789    4.6564   -0.0643 C   0  0  0  0  0
    0.2190    5.2409   -1.1842 C   0  0  0  0  0
    1.6123    5.1269   -1.3297 C   0  0  0  0  0
    1.4431    6.1859   -5.5021 H   0  0  0  0  0
    0.9586    4.8359   -4.4595 H   0  0  0  0  0
    2.6420    4.9892   -4.9807 H   0  0  0  0  0
    1.1790    6.9936   -3.1590 H   0  0  0  0  0
    2.8548    7.1277   -3.6635 H   0  0  0  0  0
    4.9598    3.4105    0.5715 H   0  0  0  0  0
    7.0782    5.2646   -2.7062 H   0  0  0  0  0
    4.9885    6.1080   -3.6179 H   0  0  0  0  0
    7.2607    3.1441    0.3643 H   0  0  0  0  0
    9.2801    3.1692    1.0875 H   0  0  0  0  0
   10.4796    4.2629    0.4060 H   0  0  0  0  0
   11.0252    1.5734    1.3453 H   0  0  0  0  0
   12.1811    2.6581    0.5880 H   0  0  0  0  0
   12.9776    0.3634    0.5416 H   0  0  0  0  0
   11.4728   -0.1980   -0.1744 H   0  0  0  0  0
   12.7351   -0.1887   -2.0569 H   0  0  0  0  0
   12.2989    1.9984   -3.3603 H   0  0  0  0  0
   11.0432    0.8737   -2.8881 H   0  0  0  0  0
   11.5419    3.6238   -1.7303 H   0  0  0  0  0
   10.1399    2.9395   -2.5113 H   0  0  0  0  0
   17.5539    2.4555   -2.7102 H   0  0  0  0  0
   16.1146    2.1366   -3.6947 H   0  0  0  0  0
   18.5414    0.2328   -2.5811 H   0  0  0  0  0
   18.3691   -2.1008   -1.7883 H   0  0  0  0  0
   16.2335   -2.9652   -0.9653 H   0  0  0  0  0
   13.1075   -2.4696    0.9021 H   0  0  0  0  0
   14.8252   -2.1071    1.1146 H   0  0  0  0  0
   14.2938   -3.4777    0.0667 H   0  0  0  0  0
    2.3538    3.3209    1.4603 H   0  0  0  0  0
   -0.0988    3.5323    1.7464 H   0  0  0  0  0
   -1.4547    4.7393    0.0715 H   0  0  0  0  0
   -0.3881    5.7701   -1.9114 H   0  0  0  0  0
  1  2  1  0  0  0
  1 39  1  0  0  0
  1 40  1  0  0  0
  1 41  1  0  0  0
  2  3  1  0  0  0
  2 42  1  0  0  0
  2 43  1  0  0  0
  3  4  1  0  0  0
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  6  7  2  0  0  0
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 32 66  1  0  0  0
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 37 70  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL538569

>  <PubChem CID>
44401578

>  <Formula>
C30H32N4O4

>  <Molecular Weight>
512.610000

>  <IUPAC Name>
N-(9-ethylcarbazol-3-yl)-2-[4-(8-methoxy-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCN1C2=C(C=C(C=C2)NC(=O)CN3CCC(CC3)N4C5=C(COC4=O)C=CC=C5OC)C6=CC=CC=C61

>  <Isomeric SMILES>
CCN1C2=C(C=C(C=C2)NC(=O)CN3CCC(CC3)N4C5=C(COC4=O)C=CC=C5OC)C6=CC=CC=C61

>  <InChI Std. ID>
InChI=1S/C30H32N4O4/c1-3-33-25-9-5-4-8-23(25)24-17-21(11-12-26(24)33)31-28(35)18-32-15-13-22(14-16-32)34-29-20(19-38-30(34)36)7-6-10-27(29)37-2/h4-12,17,22H,3,13-16,18-19H2,1-2H3,(H,31,35)

>  <InChI Key>
NISQXPDZBAPPBD-UHFFFAOYSA-N

