
 CHEMBL3785663

 56 61  0  0  0  0  0  0  0  0999 V2000
    0.5801   -1.5614    3.2700 C   0  0  0  0  0
    0.8285   -1.7939    1.7657 C   0  0  0  0  0
    1.4106   -3.1690    2.1329 C   0  0  0  0  0
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    2.5098   -2.8407    4.3913 C   0  0  0  0  0
    3.4283   -3.6239    4.1312 O   0  0  0  0  0
    2.4774   -2.0431    5.5999 C   0  0  0  0  0
    1.4498   -1.3934    6.1153 N   0  0  0  0  0
    1.8997   -0.8229    7.2895 N   0  0  0  0  0
    3.1724   -1.1484    7.4016 C   0  0  0  0  0
    3.6099   -1.9285    6.3656 O   0  0  0  0  0
    4.1376   -0.8347    8.4444 C   0  0  0  0  0
    3.6905   -0.4246    9.7095 C   0  0  0  0  0
    4.6022   -0.1272   10.7258 C   0  0  0  0  0
    5.9712   -0.2244   10.4848 C   0  0  0  0  0
    6.4307   -0.6215    9.2309 C   0  0  0  0  0
    5.5191   -0.9284    8.2175 C   0  0  0  0  0
    1.6563   -0.8791    0.9941 O   0  0  0  0  0
    2.7191   -0.2842    1.6218 C   0  0  0  0  0
    2.5601    1.0019    2.1303 C   0  0  0  0  0
    3.6444    1.6559    2.7182 C   0  0  0  0  0
    4.9035    1.0399    2.7726 C   0  0  0  0  0
    5.0499   -0.2479    2.2322 C   0  0  0  0  0
    3.9620   -0.9068    1.6540 C   0  0  0  0  0
    6.1043    1.7696    3.3408 C   0  0  0  0  0
    6.9062    2.3994    2.2789 N   0  0  0  0  0
    6.3621    3.7386    1.9184 C   0  0  0  0  0
    7.4991    4.3657    2.6570 C   0  0  0  0  0
    8.1299    3.0254    2.8472 C   0  0  0  0  0
    8.2606    5.4929    2.0497 C   0  0  0  0  0
    7.9879    6.3228    3.2184 O   0  0  0  0  0
    7.2387    5.2375    3.8399 C   0  0  0  0  0
    0.9271   -0.6124    3.6793 H   0  0  0  0  0
   -0.4474   -1.7430    3.6006 H   0  0  0  0  0
   -0.1200   -1.9051    1.2237 H   0  0  0  0  0
    0.7277   -4.0136    1.9971 H   0  0  0  0  0
    2.3818   -3.4153    1.6994 H   0  0  0  0  0
    2.6239   -0.3457    9.9149 H   0  0  0  0  0
    4.2425    0.1778   11.7055 H   0  0  0  0  0
    6.6805    0.0079   11.2754 H   0  0  0  0  0
    7.4987   -0.6956    9.0411 H   0  0  0  0  0
    5.8997   -1.2378    7.2458 H   0  0  0  0  0
    1.5980    1.5010    2.0606 H   0  0  0  0  0
    3.5050    2.6603    3.1098 H   0  0  0  0  0
    6.0239   -0.7336    2.2366 H   0  0  0  0  0
    4.1032   -1.8893    1.2146 H   0  0  0  0  0
    6.7202    1.0268    3.8662 H   0  0  0  0  0
    5.7818    2.4834    4.1113 H   0  0  0  0  0
    5.3619    3.9868    2.2874 H   0  0  0  0  0
    6.3679    3.9137    0.8360 H   0  0  0  0  0
    9.0159    2.8484    2.2256 H   0  0  0  0  0
    8.3848    2.7478    3.8760 H   0  0  0  0  0
    7.8346    5.9391    1.1463 H   0  0  0  0  0
    9.3357    5.3427    1.9174 H   0  0  0  0  0
    7.7023    4.9334    4.7829 H   0  0  0  0  0
    6.1993    5.5280    4.0168 H   0  0  0  0  0
  1  4  1  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  3  1  0  0  0
  2 18  1  0  0  0
  2 35  1  0  0  0
  3  4  1  0  0  0
  3 36  1  0  0  0
  3 37  1  0  0  0
  4  5  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  7 11  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
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 20 21  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3785663

>  <PubChem CID>
49801837

>  <Formula>
C24H24N4O4

>  <Molecular Weight>
432.480000

>  <IUPAC Name>
[3-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenoxy]azetidin-1-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone

>  <XlogP>
2.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1C(CN1C(=O)C2=NN=C(O2)C3=CC=CC=C3)OC4=CC=C(C=C4)CN5CC6(C5)COC6

>  <Isomeric SMILES>
C1C(CN1C(=O)C2=NN=C(O2)C3=CC=CC=C3)OC4=CC=C(C=C4)CN5CC6(C5)COC6

>  <InChI Std. ID>
InChI=1S/C24H24N4O4/c29-23(22-26-25-21(32-22)18-4-2-1-3-5-18)28-11-20(12-28)31-19-8-6-17(7-9-19)10-27-13-24(14-27)15-30-16-24/h1-9,20H,10-16H2

>  <InChI Key>
PZFODDBHTCTTPH-UHFFFAOYSA-N

