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M  END

>  <Chemical Name>
US8685958, 8

>  <PubChem CID>
71226400

>  <Formula>
C25H26N4O4

>  <Molecular Weight>
446.507000

>  <IUPAC Name>
[3-[4-(6-oxa-2-azaspiro[3.4]octan-2-ylmethyl)phenoxy]azetidin-1-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone

>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1COCC12CN(C2)CC3=CC=C(C=C3)OC4CN(C4)C(=O)C5=NN=C(O5)C6=CC=CC=C6

>  <Isomeric SMILES>
C1COCC12CN(C2)CC3=CC=C(C=C3)OC4CN(C4)C(=O)C5=NN=C(O5)C6=CC=CC=C6

>  <InChI Std. ID>
InChI=1S/C25H26N4O4/c30-24(23-27-26-22(33-23)19-4-2-1-3-5-19)29-13-21(14-29)32-20-8-6-18(7-9-20)12-28-15-25(16-28)10-11-31-17-25/h1-9,21H,10-17H2

>  <InChI Key>
POWPLCVUTNYQQH-UHFFFAOYSA-N

