
 SCHEMBL17418823

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M  END

>  <Chemical Name>
SCHEMBL17418823

>  <PubChem CID>
118645601

>  <Formula>
C27H27FN2O6

>  <Molecular Weight>
494.519000

>  <IUPAC Name>
(3S)-3-cyclopropyl-3-[3-[[5-(2-fluoro-5-methoxyphenyl)-6-(oxetan-3-yloxy)pyrazin-2-yl]methoxy]phenyl]propanoic acid

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
COC1=CC(=C(C=C1)F)C2=NC=C(N=C2OC3COC3)COC4=CC=CC(=C4)C(CC(=O)O)C5CC5

>  <Isomeric SMILES>
COC1=CC(=C(C=C1)F)C2=NC=C(N=C2OC3COC3)COC4=CC=CC(=C4)[C@@H](CC(=O)O)C5CC5

>  <InChI Std. ID>
InChI=1S/C27H27FN2O6/c1-33-19-7-8-24(28)23(10-19)26-27(36-21-14-34-15-21)30-18(12-29-26)13-35-20-4-2-3-17(9-20)22(11-25(31)32)16-5-6-16/h2-4,7-10,12,16,21-22H,5-6,11,13-15H2,1H3,(H,31,32)/t22-/m0/s1

>  <InChI Key>
FXGAMSDSYFEUTK-QFIPXVFZSA-N

