
 CHEMBL195133

 58 61  0  0  0  0  0  0  0  0999 V2000
    0.0720    2.0424    4.0263 C   0  0  0  0  0
   -0.1696    1.9415    2.6573 C   0  0  0  0  0
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   10.4231   -7.7997   -2.4932 N   0  0  0  0  0
   10.3316   -8.4315   -3.7119 N   0  0  0  0  0
   11.2509   -7.8912   -4.4877 C   0  0  0  0  0
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   14.4556   -6.8857   -9.4808 C   0  0  0  0  0
   13.9969   -6.7817   -8.1649 C   0  0  0  0  0
   -0.5607    2.6723    4.6460 H   0  0  0  0  0
   -0.9978    2.4876    2.2123 H   0  0  0  0  0
    0.4024    1.0669    0.8014 H   0  0  0  0  0
    2.7389   -0.0500    4.2539 H   0  0  0  0  0
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    3.0490    0.8552    0.1712 H   0  0  0  0  0
    1.7337   -0.3203   -0.1643 H   0  0  0  0  0
    7.4945   -1.2418   -0.3248 H   0  0  0  0  0
    7.1831   -1.3838   -2.0560 H   0  0  0  0  0
    7.1275   -3.8888   -1.8340 H   0  0  0  0  0
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   14.4233   -6.0313   -7.5052 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 33  1  0  0  0
  2  3  1  0  0  0
  2 34  1  0  0  0
  3  4  2  0  0  0
  3 35  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 36  1  0  0  0
  6 37  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 38  1  0  0  0
  8 39  1  0  0  0
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  9 10  2  0  0  0
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 32 58  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL195133

>  <PubChem CID>
11259075

>  <Formula>
C24H26N4O4

>  <Molecular Weight>
434.496000

>  <IUPAC Name>
2-(phenoxymethyl)-5-[6-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]hexyl]-1,3,4-oxadiazole

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
C1=CC=C(C=C1)OCC2=NN=C(O2)CCCCCCC3=NN=C(O3)COC4=CC=CC=C4

>  <Isomeric SMILES>
C1=CC=C(C=C1)OCC2=NN=C(O2)CCCCCCC3=NN=C(O3)COC4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C24H26N4O4/c1(9-15-21-25-27-23(31-21)17-29-19-11-5-3-6-12-19)2-10-16-22-26-28-24(32-22)18-30-20-13-7-4-8-14-20/h3-8,11-14H,1-2,9-10,15-18H2

>  <InChI Key>
OBFXTUSSRDHANK-UHFFFAOYSA-N

