
 CHEMBL3787134

 54 57  0  0  0  0  0  0  0  0999 V2000
   14.2459    4.0079    4.8029 C   0  0  0  0  0
   13.4024    3.1465    3.9716 N   0  0  0  0  0
   13.4830    1.7665    4.4599 C   0  0  0  0  0
   12.0168    3.6540    3.9698 C   0  0  0  0  0
   11.1056    2.9095    3.0159 C   0  0  0  0  0
   10.2616    1.8961    3.4920 C   0  0  0  0  0
    9.5113    1.1297    2.6020 C   0  0  0  0  0
    9.5893    1.3696    1.2317 C   0  0  0  0  0
   10.3557    2.4280    0.7505 C   0  0  0  0  0
   11.1309    3.1798    1.6394 C   0  0  0  0  0
    8.8928    0.4907    0.4445 O   0  0  0  0  0
    9.3946    0.1699   -0.8784 C   0  0  0  0  0
   10.9037   -0.0443   -1.1100 C   0  0  0  0  0
   10.6311   -1.4580   -1.2977 N   0  0  0  0  0
    9.1872   -1.3128   -1.2727 C   0  0  0  0  0
   11.4690   -2.4813   -0.9002 C   0  0  0  0  0
   12.6576   -2.2381   -0.6713 O   0  0  0  0  0
   10.9100   -3.8074   -0.7519 C   0  0  0  0  0
    9.7384   -4.2647   -1.1500 N   0  0  0  0  0
    9.6867   -5.5923   -0.7573 N   0  0  0  0  0
   10.8220   -5.8454   -0.1357 C   0  0  0  0  0
   11.6533   -4.7609   -0.1046 O   0  0  0  0  0
   11.3124   -7.0583    0.5052 C   0  0  0  0  0
   10.6489   -8.2757    0.3142 C   0  0  0  0  0
   11.1144   -9.4427    0.9303 C   0  0  0  0  0
   12.2340   -9.4115    1.7638 C   0  0  0  0  0
   12.9074   -8.2072    1.9547 C   0  0  0  0  0
   12.4499   -7.0413    1.3286 C   0  0  0  0  0
   12.5852  -10.6143    2.3103 O   0  0  0  0  0
   13.4245  -10.5613    3.4586 C   0  0  0  0  0
   14.2502    5.0332    4.4173 H   0  0  0  0  0
   15.2865    3.6637    4.7831 H   0  0  0  0  0
   13.9116    4.0304    5.8466 H   0  0  0  0  0
   14.5266    1.4368    4.5189 H   0  0  0  0  0
   12.9926    1.0710    3.7712 H   0  0  0  0  0
   13.0338    1.6523    5.4533 H   0  0  0  0  0
   12.0148    4.7083    3.6609 H   0  0  0  0  0
   11.5895    3.6374    4.9816 H   0  0  0  0  0
   10.2186    1.6705    4.5544 H   0  0  0  0  0
    8.8924    0.3186    2.9768 H   0  0  0  0  0
   10.3943    2.6624   -0.3077 H   0  0  0  0  0
   11.7796    3.9637    1.2535 H   0  0  0  0  0
    8.9542    0.8584   -1.6113 H   0  0  0  0  0
   11.5697    0.1534   -0.2663 H   0  0  0  0  0
   11.3033    0.4298   -2.0118 H   0  0  0  0  0
    8.7259   -1.4741   -2.2513 H   0  0  0  0  0
    8.6820   -1.9159   -0.5134 H   0  0  0  0  0
    9.7658   -8.3280   -0.3203 H   0  0  0  0  0
   10.5922  -10.3825    0.7664 H   0  0  0  0  0
   13.7973   -8.1401    2.5720 H   0  0  0  0  0
   12.9967   -6.1145    1.4971 H   0  0  0  0  0
   13.5187  -11.5785    3.8505 H   0  0  0  0  0
   12.9795   -9.9402    4.2437 H   0  0  0  0  0
   14.4296  -10.2120    3.2015 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 34  1  0  0  0
  3 35  1  0  0  0
  3 36  1  0  0  0
  4  5  1  0  0  0
  4 37  1  0  0  0
  4 38  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 39  1  0  0  0
  7  8  2  0  0  0
  7 40  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  2  0  0  0
  9 41  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3787134

>  <PubChem CID>
56598130

>  <Formula>
C22H24N4O4

>  <Molecular Weight>
408.458000

>  <IUPAC Name>
[3-[4-[(dimethylamino)methyl]phenoxy]azetidin-1-yl]-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone

>  <XlogP>
2.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CN(C)CC1=CC=C(C=C1)OC2CN(C2)C(=O)C3=NN=C(O3)C4=CC=C(C=C4)OC

>  <Isomeric SMILES>
CN(C)CC1=CC=C(C=C1)OC2CN(C2)C(=O)C3=NN=C(O3)C4=CC=C(C=C4)OC

>  <InChI Std. ID>
InChI=1S/C22H24N4O4/c1-25(2)12-15-4-8-18(9-5-15)29-19-13-26(14-19)22(27)21-24-23-20(30-21)16-6-10-17(28-3)11-7-16/h4-11,19H,12-14H2,1-3H3

>  <InChI Key>
GBVYBJDKBXZTCJ-UHFFFAOYSA-N

