
 CHEMBL1672882

134140  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1672882

>  <PubChem CID>
51003352

>  <Formula>
C51H61FN4O17

>  <Molecular Weight>
1021.058000

>  <IUPAC Name>
3-(1,3-benzodioxol-5-yl)-4-[[3-[2-[2-[2-[2-[[1-[2-[2-[2-[2-(2-fluoropyridin-3-yl)oxyethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4,5-dimethoxyphenyl]methyl]-5-hydroxy-5-(4-methoxyphenyl)furan-2-one

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
21

>  <Canonical SMILES>
COC1=CC=C(C=C1)C2(C(=C(C(=O)O2)C3=CC4=C(C=C3)OCO4)CC5=CC(=C(C(=C5)OCCOCCOCCOCCOCC6=CN(N=N6)CCOCCOCCOCCOC7=C(N=CC=C7)F)OC)OC)O

>  <Isomeric SMILES>
COC1=CC=C(C=C1)C2(C(=C(C(=O)O2)C3=CC4=C(C=C3)OCO4)CC5=CC(=C(C(=C5)OCCOCCOCCOCCOCC6=CN(N=N6)CCOCCOCCOCCOC7=C(N=CC=C7)F)OC)OC)O

>  <InChI Std. ID>
InChI=1S/C51H61FN4O17/c1-59-40-9-7-38(8-10-40)51(58)41(47(50(57)73-51)37-6-11-42-44(32-37)72-35-71-42)29-36-30-45(60-2)48(61-3)46(31-36)70-28-26-67-22-20-64-17-18-65-23-24-68-34-39-33-56(55-54-39)13-14-62-15-16-63-19-21-66-25-27-69-43-5-4-12-53-49(43)52/h4-12,30-33,58H,13-29,34-35H2,1-3H3

>  <InChI Key>
FKMCDNBBXIHJCM-UHFFFAOYSA-N

