
 SCHEMBL17418795

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M  END

>  <Chemical Name>
SCHEMBL17418795

>  <PubChem CID>
118645573

>  <Formula>
C27H28FN3O5

>  <Molecular Weight>
493.535000

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

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
COC1=NC=C(C(=C1)C2=NC=C(N=C2OCC3CC3)COC4=CC=CC(=C4)C(CC(=O)O)C5CC5)F

>  <Isomeric SMILES>
COC1=NC=C(C(=C1)C2=NC=C(N=C2OCC3CC3)COC4=CC=CC(=C4)[C@@H](CC(=O)O)C5CC5)F

>  <InChI Std. ID>
InChI=1S/C27H28FN3O5/c1-34-24-10-22(23(28)13-29-24)26-27(36-14-16-5-6-16)31-19(12-30-26)15-35-20-4-2-3-18(9-20)21(11-25(32)33)17-7-8-17/h2-4,9-10,12-13,16-17,21H,5-8,11,14-15H2,1H3,(H,32,33)/t21-/m0/s1

>  <InChI Key>
FIXVGIZULFZMHK-NRFANRHFSA-N

