
 CHEMBL70793

 96100  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL70793

>  <PubChem CID>
44311436

>  <Formula>
C41H44FN3O6S

>  <Molecular Weight>
725.876000

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

>  <XlogP>
9.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <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=C4C5=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=C4C5=CC=CC=C5)CC

>  <InChI Std. ID>
InChI=1S/C41H44FN3O6S/c1-5-14-38-43-36(6-2)39(40(46)51-27-32-17-10-11-18-33(32)29-15-8-7-9-16-29)45(38)26-31-22-21-30(25-35(31)42)34-19-12-13-20-37(34)52(48,49)44-41(47)50-24-23-28(3)4/h7-13,15-22,25,28H,5-6,14,23-24,26-27H2,1-4H3,(H,44,47)

>  <InChI Key>
BQVHWPHYIQLCCW-UHFFFAOYSA-N

