
 CHEMBL3670644

 63 68  0  0  0  0  0  0  0  0999 V2000
    8.2519   16.6022   -3.5660 C   0  0  0  0  0
    7.3475   15.5044   -3.5122 O   0  0  0  0  0
    7.8899   14.2944   -3.1758 C   0  0  0  0  0
    6.9726   13.3314   -2.7474 C   0  0  0  0  0
    7.4014   12.0535   -2.3711 C   0  0  0  0  0
    8.7573   11.7157   -2.4297 C   0  0  0  0  0
    9.6696   12.6856   -2.8763 C   0  0  0  0  0
    9.2398   13.9642   -3.2503 C   0  0  0  0  0
    9.2563   10.3960   -2.0663 C   0  0  0  0  0
   10.4989    9.9666   -2.0009 N   0  0  0  0  0
   10.4391    8.6277   -1.6958 N   0  0  0  0  0
    9.1586    8.3264   -1.5934 C   0  0  0  0  0
    8.3390    9.4096   -1.7958 O   0  0  0  0  0
    8.6007    7.0105   -1.3250 C   0  0  0  0  0
    7.4440    6.8267   -0.9455 O   0  0  0  0  0
    9.4664    5.9445   -1.5175 N   0  0  0  0  0
   10.5468    5.8254   -2.4858 C   0  0  0  0  0
   10.2511    4.3207   -2.5629 C   0  0  0  0  0
    9.1263    4.5320   -1.5312 C   0  0  0  0  0
    9.8524    3.8376   -3.8678 O   0  0  0  0  0
    9.6111    2.4951   -4.0334 C   0  0  0  0  0
    9.1190    2.1192   -5.2849 C   0  0  0  0  0
    8.8796    0.7725   -5.5793 C   0  0  0  0  0
    9.1158   -0.2166   -4.6147 C   0  0  0  0  0
    9.5933    0.1752   -3.3558 C   0  0  0  0  0
    9.8448    1.5186   -3.0677 C   0  0  0  0  0
    8.8600   -1.6818   -4.9213 C   0  0  0  0  0
    9.9322   -2.3296   -5.7013 N   0  0  0  0  0
   11.2136   -2.3326   -4.9440 C   0  0  0  0  0
   11.7804   -3.7469   -4.9991 C   0  0  0  0  0
   10.5307   -4.6016   -5.0552 C   0  0  0  0  0
    9.6609   -3.7703   -5.9701 C   0  0  0  0  0
    9.8686   -4.0294   -7.4860 C   0  0  0  0  0
    8.6587   -4.8455   -7.5152 O   0  0  0  0  0
    8.2133   -4.1865   -6.2923 C   0  0  0  0  0
    7.6630   17.5128   -3.7090 H   0  0  0  0  0
    8.9342   16.5116   -4.4159 H   0  0  0  0  0
    8.8044   16.7057   -2.6252 H   0  0  0  0  0
    5.9155   13.5808   -2.6985 H   0  0  0  0  0
    6.6602   11.3293   -2.0329 H   0  0  0  0  0
   10.7301   12.4480   -2.9463 H   0  0  0  0  0
    9.9842   14.6694   -3.6060 H   0  0  0  0  0
   11.5250    6.0798   -2.0687 H   0  0  0  0  0
   10.3759    6.3758   -3.4150 H   0  0  0  0  0
   11.1150    3.7629   -2.1770 H   0  0  0  0  0
    8.1153    4.3221   -1.8850 H   0  0  0  0  0
    9.2945    4.0462   -0.5652 H   0  0  0  0  0
    8.9264    2.8780   -6.0408 H   0  0  0  0  0
    8.5072    0.5003   -6.5638 H   0  0  0  0  0
    9.7851   -0.5693   -2.5881 H   0  0  0  0  0
   10.2327    1.7606   -2.0860 H   0  0  0  0  0
    7.9201   -1.7001   -5.4814 H   0  0  0  0  0
    8.6661   -2.2274   -3.9876 H   0  0  0  0  0
   11.0719   -2.0894   -3.8851 H   0  0  0  0  0
   11.9146   -1.6059   -5.3675 H   0  0  0  0  0
   12.3789   -3.8793   -5.9080 H   0  0  0  0  0
   12.4083   -3.9846   -4.1353 H   0  0  0  0  0
   10.7316   -5.6090   -5.4307 H   0  0  0  0  0
   10.0792   -4.6888   -4.0600 H   0  0  0  0  0
   10.7512   -4.6141   -7.7631 H   0  0  0  0  0
    9.7716   -3.1743   -8.1649 H   0  0  0  0  0
    7.4767   -3.4199   -6.5443 H   0  0  0  0  0
    7.7686   -4.9001   -5.5923 H   0  0  0  0  0
  1  2  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  1 38  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 39  1  0  0  0
  5  6  2  0  0  0
  5 40  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  7 41  1  0  0  0
  8 42  1  0  0  0
  9 13  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 12 14  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 19  1  0  0  0
 16 17  1  0  0  0
 17 18  1  0  0  0
 17 43  1  0  0  0
 17 44  1  0  0  0
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 18 20  1  0  0  0
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 19 46  1  0  0  0
 19 47  1  0  0  0
 20 21  1  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 22 48  1  0  0  0
 23 24  2  0  0  0
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 24 25  1  0  0  0
 24 27  1  0  0  0
 25 26  2  0  0  0
 25 50  1  0  0  0
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 27 28  1  0  0  0
 27 52  1  0  0  0
 27 53  1  0  0  0
 28 32  1  0  0  0
 28 29  1  0  0  0
 29 30  1  0  0  0
 29 54  1  0  0  0
 29 55  1  0  0  0
 30 31  1  0  0  0
 30 56  1  0  0  0
 30 57  1  0  0  0
 31 32  1  0  0  0
 31 58  1  0  0  0
 31 59  1  0  0  0
 32 33  1  0  0  0
 32 35  1  0  0  0
 33 34  1  0  0  0
 33 60  1  0  0  0
 33 61  1  0  0  0
 34 35  1  0  0  0
 35 62  1  0  0  0
 35 63  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3670644

>  <PubChem CID>
71227161

>  <Formula>
C26H28N4O5

>  <Molecular Weight>
476.533000

>  <IUPAC Name>
[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[3-[4-(2-oxa-5-azaspiro[3.4]octan-5-ylmethyl)phenoxy]azetidin-1-yl]methanone

>  <XlogP>
2.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
COC1=CC=C(C=C1)C2=NN=C(O2)C(=O)N3CC(C3)OC4=CC=C(C=C4)CN5CCCC56COC6

>  <Isomeric SMILES>
COC1=CC=C(C=C1)C2=NN=C(O2)C(=O)N3CC(C3)OC4=CC=C(C=C4)CN5CCCC56COC6

>  <InChI Std. ID>
InChI=1S/C26H28N4O5/c1-32-20-9-5-19(6-10-20)23-27-28-24(35-23)25(31)29-14-22(15-29)34-21-7-3-18(4-8-21)13-30-12-2-11-26(30)16-33-17-26/h3-10,22H,2,11-17H2,1H3

>  <InChI Key>
PGYVQEAAPZQCSN-UHFFFAOYSA-N

