
 MLS000032393

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M  END

>  <Chemical Name>
MLS000032393

>  <PubChem CID>
647823

>  <Formula>
C26H26N6O3

>  <Molecular Weight>
470.533000

>  <IUPAC Name>
3-[[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl-[(2-methoxyphenyl)methyl]amino]methyl]-6-methyl-1H-quinolin-2-one

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=CC=C3OC)CC4=NN=NN4CC5=CC=CO5

>  <Isomeric SMILES>
CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=CC=C3OC)CC4=NN=NN4CC5=CC=CO5

>  <InChI Std. ID>
InChI=1S/C26H26N6O3/c1-18-9-10-23-20(12-18)13-21(26(33)27-23)15-31(14-19-6-3-4-8-24(19)34-2)17-25-28-29-30-32(25)16-22-7-5-11-35-22/h3-13H,14-17H2,1-2H3,(H,27,33)

>  <InChI Key>
BMDSAZDIDMDPRU-UHFFFAOYSA-N

