
 CHEMBL311253

 93 97  0  0  0  0  0  0  0  0999 V2000
    4.6518   -0.8579    3.9450 C   0  0  0  0  0
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    5.0146    4.1585   -0.7252 H   0  0  0  0  0
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    3.6323    3.3663   -2.6508 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL311253

>  <PubChem CID>
44311074

>  <Formula>
C38H41FN4O8S

>  <Molecular Weight>
732.824000

>  <IUPAC Name>
2-(1,3-dioxoisoindol-2-yl)ethyl 5-ethyl-3-[[2-fluoro-4-[2-(3-methylbutoxycarbonylsulfamoyl)phenyl]phenyl]methyl]-2-propylimidazole-4-carboxylate

>  <XlogP>
7.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
10

>  <Canonical SMILES>
CCCC1=NC(=C(N1CC2=C(C=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)OCCC(C)C)F)C(=O)OCCN4C(=O)C5=CC=CC=C5C4=O)CC

>  <Isomeric SMILES>
CCCC1=NC(=C(N1CC2=C(C=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)OCCC(C)C)F)C(=O)OCCN4C(=O)C5=CC=CC=C5C4=O)CC

>  <InChI Std. ID>
InChI=1S/C38H41FN4O8S/c1-5-11-33-40-31(6-2)34(37(46)50-21-19-42-35(44)28-13-7-8-14-29(28)36(42)45)43(33)23-26-17-16-25(22-30(26)39)27-12-9-10-15-32(27)52(48,49)41-38(47)51-20-18-24(3)4/h7-10,12-17,22,24H,5-6,11,18-21,23H2,1-4H3,(H,41,47)

>  <InChI Key>
FNOSMWSPVAMRRG-UHFFFAOYSA-N

