
 SCHEMBL17419035

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M  END

>  <Chemical Name>
SCHEMBL17419035

>  <PubChem CID>
118645786

>  <Formula>
C27H28FN3O4

>  <Molecular Weight>
477.536000

>  <IUPAC Name>
(3S)-3-cyclopropyl-3-[3-[[5-(5-fluoro-2-methoxypyridin-4-yl)-6-(2-methylprop-1-enyl)pyrazin-2-yl]methoxy]phenyl]propanoic acid

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC(=CC1=NC(=CN=C1C2=CC(=NC=C2F)OC)COC3=CC=CC(=C3)C(CC(=O)O)C4CC4)C

>  <Isomeric SMILES>
CC(=CC1=NC(=CN=C1C2=CC(=NC=C2F)OC)COC3=CC=CC(=C3)[C@@H](CC(=O)O)C4CC4)C

>  <InChI Std. ID>
InChI=1S/C27H28FN3O4/c1-16(2)9-24-27(22-11-25(34-3)29-14-23(22)28)30-13-19(31-24)15-35-20-6-4-5-18(10-20)21(12-26(32)33)17-7-8-17/h4-6,9-11,13-14,17,21H,7-8,12,15H2,1-3H3,(H,32,33)/t21-/m0/s1

>  <InChI Key>
AGRNNMWINKSEEL-NRFANRHFSA-N

