
 CHEMBL1091743

 67 71  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1091743

>  <PubChem CID>
46886451

>  <Formula>
C30H26F2N4O4S

>  <Molecular Weight>
576.619000

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

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
C1=CC=C2C(=C1)C=CC=C2CNOC3=C(C=CC(=C3)CN4C=CC=N4)CCC(=O)NS(=O)(=O)C5=CC(=C(C=C5)F)F

>  <Isomeric SMILES>
C1=CC=C2C(=C1)C=CC=C2CNOC3=C(C=CC(=C3)CN4C=CC=N4)CCC(=O)NS(=O)(=O)C5=CC(=C(C=C5)F)F

>  <InChI Std. ID>
InChI=1S/C30H26F2N4O4S/c31-27-13-12-25(18-28(27)32)41(38,39)35-30(37)14-11-23-10-9-21(20-36-16-4-15-33-36)17-29(23)40-34-19-24-7-3-6-22-5-1-2-8-26(22)24/h1-10,12-13,15-18,34H,11,14,19-20H2,(H,35,37)

>  <InChI Key>
CUVIWZMOEZNKMO-UHFFFAOYSA-N

