
 CHEMBL194898

 52 56  0  0  0  0  0  0  0  0999 V2000
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   -0.5908   -4.3272   -5.2000 C   0  0  0  0  0
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   -0.8208   -5.6225   -5.5651 O   0  0  0  0  0
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    5.7942   -1.6408  -14.7195 O   0  0  0  0  0
    4.3658   -1.3302  -16.3847 O   0  0  0  0  0
   -4.3292   -1.9159    1.6437 H   0  0  0  0  0
   -4.2038   -2.4107   -0.0632 H   0  0  0  0  0
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   -2.3937   -0.6947   -0.1250 H   0  0  0  0  0
   -0.6402   -2.7911    0.9693 H   0  0  0  0  0
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    1.2967   -3.6418  -13.2964 H   0  0  0  0  0
    3.5760   -3.2070  -12.3495 H   0  0  0  0  0
    4.1501   -1.5340  -12.3964 H   0  0  0  0  0
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    1.3497   -1.5418  -14.9019 H   0  0  0  0  0
    5.2357   -1.0326  -16.7282 H   0  0  0  0  0
  1  4  1  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  3  1  0  0  0
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  2 33  1  0  0  0
  3  4  1  0  0  0
  3  5  1  0  0  0
  3 34  1  0  0  0
  4 35  1  0  0  0
  4 36  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 37  1  0  0  0
  7  8  2  0  0  0
  7 38  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  2  0  0  0
  9 39  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL194898

>  <PubChem CID>
11653967

>  <Formula>
C23H23N3O3

>  <Molecular Weight>
389.455000

>  <IUPAC Name>
1-[[4-[5-(4-cyclobutylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid

>  <XlogP>
1.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CC(C1)C2=CC=C(C=C2)C3=NC(=NO3)C4=CC=C(C=C4)CN5CC(C5)C(=O)O

>  <Isomeric SMILES>
C1CC(C1)C2=CC=C(C=C2)C3=NC(=NO3)C4=CC=C(C=C4)CN5CC(C5)C(=O)O

>  <InChI Std. ID>
InChI=1S/C23H23N3O3/c27-23(28)20-13-26(14-20)12-15-4-6-18(7-5-15)21-24-22(29-25-21)19-10-8-17(9-11-19)16-2-1-3-16/h4-11,16,20H,1-3,12-14H2,(H,27,28)

>  <InChI Key>
DMOOKXPSMLPOGZ-UHFFFAOYSA-N

