
 CHEMBL195442

 61 64  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0
  1  6  1  0  0  0
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  4  7  1  0  0  0
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  9 10  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL195442

>  <PubChem CID>
11408269

>  <Formula>
C25H28N4O4

>  <Molecular Weight>
448.523000

>  <IUPAC Name>
2-(phenoxymethyl)-5-[7-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]heptyl]-1,3,4-oxadiazole

>  <XlogP>
5.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
C1=CC=C(C=C1)OCC2=NN=C(O2)CCCCCCCC3=NN=C(O3)COC4=CC=CC=C4

>  <Isomeric SMILES>
C1=CC=C(C=C1)OCC2=NN=C(O2)CCCCCCCC3=NN=C(O3)COC4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C25H28N4O4/c1(2-10-16-22-26-28-24(32-22)18-30-20-12-6-4-7-13-20)3-11-17-23-27-29-25(33-23)19-31-21-14-8-5-9-15-21/h4-9,12-15H,1-3,10-11,16-19H2

>  <InChI Key>
HEUUNKFJNCBDSN-UHFFFAOYSA-N

