
 CHEMBL73283

 98102  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL73283

>  <PubChem CID>
44311753

>  <Formula>
C41H44FN3O7S2

>  <Molecular Weight>
773.935000

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

>  <XlogP>
8.7

>  <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)OCC4=CC=CC=C4S(=O)C5=CC=CC=C5)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)OCC4=CC=CC=C4S(=O)C5=CC=CC=C5)CC

>  <InChI Std. ID>
InChI=1S/C41H44FN3O7S2/c1-5-14-38-43-35(6-2)39(40(46)52-27-31-15-10-12-19-36(31)53(48)32-16-8-7-9-17-32)45(38)26-30-22-21-29(25-34(30)42)33-18-11-13-20-37(33)54(49,50)44-41(47)51-24-23-28(3)4/h7-13,15-22,25,28H,5-6,14,23-24,26-27H2,1-4H3,(H,44,47)

>  <InChI Key>
BELHLEZQMOGSQN-UHFFFAOYSA-N

