
 CHEMBL506338

 76 79  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL506338

>  <PubChem CID>
44587403

>  <Formula>
C32H30F5N3O6

>  <Molecular Weight>
647.599000

>  <IUPAC Name>
2-[2-[2-fluoro-3-[1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-3-[(2R)-2-(methylamino)-2-phenylethyl]-2,4-dioxopyrimidin-5-yl]phenoxy]ethoxy]acetic acid

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
12

>  <Canonical SMILES>
CC1=C(C(=O)N(C(=O)N1CC2=C(C=CC=C2F)C(F)(F)F)CC(C3=CC=CC=C3)NC)C4=C(C(=CC=C4)OCCOCC(=O)O)F

>  <Isomeric SMILES>
CC1=C(C(=O)N(C(=O)N1CC2=C(C=CC=C2F)C(F)(F)F)C[C@@H](C3=CC=CC=C3)NC)C4=C(C(=CC=C4)OCCOCC(=O)O)F

>  <InChI Std. ID>
InChI=1S/C32H30F5N3O6/c1-19-28(21-10-6-13-26(29(21)34)46-15-14-45-18-27(41)42)30(43)40(17-25(38-2)20-8-4-3-5-9-20)31(44)39(19)16-22-23(32(35,36)37)11-7-12-24(22)33/h3-13,25,38H,14-18H2,1-2H3,(H,41,42)/t25-/m0/s1

>  <InChI Key>
ARERDXBHAZDIGD-VWLOTQADSA-N

