
 CHEMBL3981260

 77 82  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3981260

>  <PubChem CID>
134156632

>  <Formula>
C32H34N6O5

>  <Molecular Weight>
582.661000

>  <IUPAC Name>
1-[2-[4-[[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl-[[4-(2H-tetrazol-5-yl)phenyl]methyl]amino]methyl]-2-methoxyphenoxy]ethyl]pyrrolidine-2,5-dione

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC(C1=CC2=C(C=C1)OCC2)N(CC3=CC=C(C=C3)C4=NNN=N4)CC5=CC(=C(C=C5)OCCN6C(=O)CCC6=O)OC

>  <Isomeric SMILES>
CC(C1=CC2=C(C=C1)OCC2)N(CC3=CC=C(C=C3)C4=NNN=N4)CC5=CC(=C(C=C5)OCCN6C(=O)CCC6=O)OC

>  <InChI Std. ID>
InChI=1S/C32H34N6O5/c1-21(25-8-10-27-26(18-25)13-15-42-27)37(19-22-3-6-24(7-4-22)32-33-35-36-34-32)20-23-5-9-28(29(17-23)41-2)43-16-14-38-30(39)11-12-31(38)40/h3-10,17-18,21H,11-16,19-20H2,1-2H3,(H,33,34,35,36)

>  <InChI Key>
BEDLUCQNYSEXAU-UHFFFAOYSA-N

