
 SCHEMBL17418796

 69 72  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL17418796

>  <PubChem CID>
118645574

>  <Formula>
C28H32FN3O5

>  <Molecular Weight>
509.578000

>  <IUPAC Name>
(3S)-3-cyclopropyl-3-[3-[[6-(2,2-dimethylpropoxy)-5-(5-fluoro-2-methoxypyridin-4-yl)pyrazin-2-yl]methoxy]phenyl]propanoic acid

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC(C)(C)COC1=NC(=CN=C1C2=CC(=NC=C2F)OC)COC3=CC=CC(=C3)C(CC(=O)O)C4CC4

>  <Isomeric SMILES>
CC(C)(C)COC1=NC(=CN=C1C2=CC(=NC=C2F)OC)COC3=CC=CC(=C3)[C@@H](CC(=O)O)C4CC4

>  <InChI Std. ID>
InChI=1S/C28H32FN3O5/c1-28(2,3)16-37-27-26(22-11-24(35-4)30-14-23(22)29)31-13-19(32-27)15-36-20-7-5-6-18(10-20)21(12-25(33)34)17-8-9-17/h5-7,10-11,13-14,17,21H,8-9,12,15-16H2,1-4H3,(H,33,34)/t21-/m0/s1

>  <InChI Key>
MAFLOYYEUJDHPT-NRFANRHFSA-N

