
 CHEMBL1091741

 68 72  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1091741

>  <PubChem CID>
23017788

>  <Formula>
C31H27F2N3O4S

>  <Molecular Weight>
575.631000

>  <IUPAC Name>
N-(3,4-difluorophenyl)sulfonyl-3-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]propanamide

>  <XlogP>
5.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1=CC=C2C=C(C=CC2=C1)CCOC3=C(C=CC(=C3)CN4C=CC=N4)CCC(=O)NS(=O)(=O)C5=CC(=C(C=C5)F)F

>  <Isomeric SMILES>
C1=CC=C2C=C(C=CC2=C1)CCOC3=C(C=CC(=C3)CN4C=CC=N4)CCC(=O)NS(=O)(=O)C5=CC(=C(C=C5)F)F

>  <InChI Std. ID>
InChI=1S/C31H27F2N3O4S/c32-28-12-11-27(20-29(28)33)41(38,39)35-31(37)13-10-25-9-7-23(21-36-16-3-15-34-36)19-30(25)40-17-14-22-6-8-24-4-1-2-5-26(24)18-22/h1-9,11-12,15-16,18-20H,10,13-14,17,21H2,(H,35,37)

>  <InChI Key>
CBYYDCDFSINGQQ-UHFFFAOYSA-N

