
 CHEMBL3670650

 66 71  0  0  0  0  0  0  0  0999 V2000
    2.3537   -0.6274    0.4894 C   0  0  0  0  0
    1.9902    0.7024    0.1216 O   0  0  0  0  0
    3.0064    1.5986    0.3340 C   0  0  0  0  0
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    4.9992    3.5074    0.7833 C   0  0  0  0  0
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    6.5854    2.4659   -2.1043 N   0  0  0  0  0
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    7.2945    4.3617   -3.4430 C   0  0  0  0  0
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    7.8485    2.1774   -2.8314 C   0  0  0  0  0
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    8.6663    0.4405   -3.7630 O   0  0  0  0  0
    8.6764    0.9539   -2.3977 C   0  0  0  0  0
    1.4234    2.9898    1.4431 O   0  0  0  0  0
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    1.2298    4.8218   -0.3988 C   0  0  0  0  0
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   -0.5977    5.0075   -2.1026 C   0  0  0  0  0
    0.1542    5.5248   -2.9363 O   0  0  0  0  0
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   -4.1513    3.4889   -4.9487 C   0  0  0  0  0
   -5.4990    3.1029   -4.9655 C   0  0  0  0  0
   -6.1285    2.7479   -6.1636 C   0  0  0  0  0
   -5.4234    2.7775   -7.3754 C   0  0  0  0  0
   -4.0743    3.1511   -7.3609 C   0  0  0  0  0
   -3.4477    3.5073   -6.1630 C   0  0  0  0  0
   -6.0889    2.3655   -8.6627 C   0  0  0  0  0
   -5.4703    2.8673   -9.7696 F   0  0  0  0  0
   -6.1038    1.0133   -8.8271 F   0  0  0  0  0
    1.4307   -1.1914    0.6614 H   0  0  0  0  0
    2.9382   -0.6544    1.4166 H   0  0  0  0  0
    2.8993   -1.1150   -0.3235 H   0  0  0  0  0
    3.4982    4.5992    1.8750 H   0  0  0  0  0
    5.7660    4.2575    0.9661 H   0  0  0  0  0
    4.4926    0.5505   -0.8266 H   0  0  0  0  0
    6.9315    1.1651   -0.4558 H   0  0  0  0  0
    7.3995    2.8256   -0.1620 H   0  0  0  0  0
    6.5105    4.5253   -1.4732 H   0  0  0  0  0
    5.2836    4.0646   -2.6667 H   0  0  0  0  0
    6.8748    4.1580   -4.4356 H   0  0  0  0  0
    7.5290    5.4282   -3.3801 H   0  0  0  0  0
    9.1649    3.4285   -4.0624 H   0  0  0  0  0
    9.0905    3.8761   -2.3459 H   0  0  0  0  0
    7.5603    1.7300   -5.0320 H   0  0  0  0  0
    6.5807    0.6715   -3.9777 H   0  0  0  0  0
    8.2317    0.2105   -1.7314 H   0  0  0  0  0
    9.6938    1.1765   -2.0635 H   0  0  0  0  0
    0.6799    4.9221    1.7312 H   0  0  0  0  0
    1.8271    4.2029   -1.0752 H   0  0  0  0  0
    1.6823    5.8122   -0.2978 H   0  0  0  0  0
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   -2.3955    3.7874   -6.1903 H   0  0  0  0  0
   -7.1245    2.7191   -8.6874 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
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 18  1  0  0  0
  5  6  2  0  0  0
  5 42  1  0  0  0
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 36 66  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3670650

>  <PubChem CID>
71227171

>  <Formula>
C27H28F2N4O5

>  <Molecular Weight>
526.541000

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

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
10

>  <Canonical SMILES>
COC1=C(C=CC(=C1)CN2CCCC23COC3)OC4CN(C4)C(=O)C5=NN=C(O5)C6=CC=C(C=C6)C(F)F

>  <Isomeric SMILES>
COC1=C(C=CC(=C1)CN2CCCC23COC3)OC4CN(C4)C(=O)C5=NN=C(O5)C6=CC=C(C=C6)C(F)F

>  <InChI Std. ID>
InChI=1S/C27H28F2N4O5/c1-35-22-11-17(12-33-10-2-9-27(33)15-36-16-27)3-8-21(22)37-20-13-32(14-20)26(34)25-31-30-24(38-25)19-6-4-18(5-7-19)23(28)29/h3-8,11,20,23H,2,9-10,12-16H2,1H3

>  <InChI Key>
AOUVKOSBHGGHLV-UHFFFAOYSA-N

