
 CHEMBL538823

 63 68  0  0  0  0  0  0  0  0999 V2000
    1.7544    3.1754   -1.2520 C   0  0  0  0  0
    3.1444    2.6143   -1.3081 C   0  0  0  0  0
    3.9258    2.7778   -2.4521 C   0  0  0  0  0
    5.2348    2.2760   -2.4940 C   0  0  0  0  0
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    3.6668    1.8785   -0.2419 C   0  0  0  0  0
    7.1604    1.1701   -1.5165 N   0  0  0  0  0
    7.9988    1.8749   -2.4021 C   0  0  0  0  0
    9.2239    1.8691   -2.3619 O   0  0  0  0  0
    7.4105    2.6676   -3.3463 O   0  0  0  0  0
    6.0688    2.3886   -3.7171 C   0  0  0  0  0
    7.6929    0.1791   -0.5256 C   0  0  0  0  0
    7.0393   -1.2118   -0.6954 C   0  0  0  0  0
    7.6707   -2.0133   -1.8362 C   0  0  0  0  0
    9.1238   -2.2143   -1.7123 N   0  0  0  0  0
    9.7912   -0.9106   -1.5602 C   0  0  0  0  0
    9.2198   -0.0373   -0.4321 C   0  0  0  0  0
    9.5239   -3.1470   -0.6400 C   0  0  0  0  0
    8.9009   -4.5362   -0.8275 C   0  0  0  0  0
    7.8584   -4.8285   -0.2431 O   0  0  0  0  0
    9.6299   -5.3710   -1.6656 N   0  0  0  0  0
    9.2919   -6.6904   -2.0388 C   0  0  0  0  0
   10.2808   -7.4755   -2.6450 C   0  0  0  0  0
    9.9480   -8.7794   -2.9760 C   0  0  0  0  0
    8.6751   -9.3300   -2.7634 C   0  0  0  0  0
    7.6888   -8.5530   -2.1923 C   0  0  0  0  0
    8.0070   -7.2359   -1.8293 C   0  0  0  0  0
    8.6615  -10.7046   -3.2091 C   0  0  0  0  0
    7.6501  -11.6501   -3.2147 C   0  0  0  0  0
    7.9401  -12.9282   -3.7091 C   0  0  0  0  0
    9.2261  -13.2491   -4.1857 C   0  0  0  0  0
   10.2471  -12.2964   -4.1829 C   0  0  0  0  0
    9.9353  -11.0422   -3.6951 C   0  0  0  0  0
   10.7934   -9.8411   -3.5685 C   0  0  0  0  0
   11.9615   -9.7417   -3.8811 O   0  0  0  0  0
    1.6876    4.1038   -1.8301 H   0  0  0  0  0
    1.4718    3.4179   -0.2222 H   0  0  0  0  0
    1.0386    2.4543   -1.6573 H   0  0  0  0  0
    3.5225    3.3105   -3.3114 H   0  0  0  0  0
    5.3250    0.8293    0.5796 H   0  0  0  0  0
    3.0686    1.7144    0.6523 H   0  0  0  0  0
    6.0331    1.4653   -4.3073 H   0  0  0  0  0
    5.7289    3.2119   -4.3531 H   0  0  0  0  0
    7.4142    0.5792    0.4572 H   0  0  0  0  0
    5.9625   -1.1373   -0.8773 H   0  0  0  0  0
    7.1455   -1.7710    0.2431 H   0  0  0  0  0
    7.1519   -2.9721   -1.9429 H   0  0  0  0  0
    7.4774   -1.4904   -2.7824 H   0  0  0  0  0
   10.8665   -1.0540   -1.3969 H   0  0  0  0  0
    9.7190   -0.4002   -2.5248 H   0  0  0  0  0
    9.4273   -0.5385    0.5236 H   0  0  0  0  0
    9.7576    0.9129   -0.3566 H   0  0  0  0  0
    9.2499   -2.7920    0.3588 H   0  0  0  0  0
   10.6155   -3.2642   -0.6420 H   0  0  0  0  0
   10.5190   -5.0152   -1.9997 H   0  0  0  0  0
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    6.6892   -8.9370   -2.0160 H   0  0  0  0  0
    7.2104   -6.6394   -1.3925 H   0  0  0  0  0
    6.6551  -11.4180   -2.8486 H   0  0  0  0  0
    7.1595  -13.6872   -3.7234 H   0  0  0  0  0
    9.4231  -14.2516   -4.5605 H   0  0  0  0  0
   11.2430  -12.5260   -4.5450 H   0  0  0  0  0
  1  2  1  0  0  0
  1 37  1  0  0  0
  1 38  1  0  0  0
  1 39  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 40  1  0  0  0
  4 12  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  2  0  0  0
  6 41  1  0  0  0
  7 42  1  0  0  0
  8  9  1  0  0  0
  8 13  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 12  1  0  0  0
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 29 34  1  0  0  0
 29 30  2  0  0  0
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 31 32  2  0  0  0
 31 61  1  0  0  0
 32 33  1  0  0  0
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 34 35  1  0  0  0
 35 36  2  0  0  0
M  END

>  <Chemical Name>
CHEMBL538823

>  <PubChem CID>
10075283

>  <Formula>
C29H27N3O4

>  <Molecular Weight>
481.552000

>  <IUPAC Name>
2-[4-(6-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(9-oxofluoren-2-yl)acetamide

>  <XlogP>
4.300

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=CC2=C(C=C1)N(C(=O)OC2)C3CCN(CC3)CC(=O)NC4=CC5=C(C=C4)C6=CC=CC=C6C5=O

>  <Isomeric SMILES>
CC1=CC2=C(C=C1)N(C(=O)OC2)C3CCN(CC3)CC(=O)NC4=CC5=C(C=C4)C6=CC=CC=C6C5=O

>  <InChI Std. ID>
InChI=1S/C29H27N3O4/c1-18-6-9-26-19(14-18)17-36-29(35)32(26)21-10-12-31(13-11-21)16-27(33)30-20-7-8-23-22-4-2-3-5-24(22)28(34)25(23)15-20/h2-9,14-15,21H,10-13,16-17H2,1H3,(H,30,33)

>  <InChI Key>
BUYSBUFNQBIBMU-UHFFFAOYSA-N

