
 SCHEMBL460059

 61 65  0  0  0  0  0  0  0  0999 V2000
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    2.7669    1.1401   -1.9782 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL460059

>  <PubChem CID>
66692601

>  <Formula>
C25H28N4O4

>  <Molecular Weight>
448.523000

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

>  <XlogP>
0.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
C1COCCC1(CCC2=NC(=NO2)C3=CC=C(C=C3)CN4CC(C4)C(=O)O)C5=CN=CC=C5

>  <Isomeric SMILES>
C1COCCC1(CCC2=NC(=NO2)C3=CC=C(C=C3)CN4CC(C4)C(=O)O)C5=CN=CC=C5

>  <InChI Std. ID>
InChI=1S/C25H28N4O4/c30-24(31)20-16-29(17-20)15-18-3-5-19(6-4-18)23-27-22(33-28-23)7-8-25(9-12-32-13-10-25)21-2-1-11-26-14-21/h1-6,11,14,20H,7-10,12-13,15-17H2,(H,30,31)

>  <InChI Key>
AAYNBQNCKLYKNA-UHFFFAOYSA-N

