
 SCHEMBL17418589

 67 70  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL17418589

>  <PubChem CID>
118645392

>  <Formula>
C28H31FN2O5

>  <Molecular Weight>
494.563000

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

>  <XlogP>
5.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC(C)COC1=NC(=CN=C1C2=C(C=CC(=C2)OC)F)COC3=CC=CC(=C3)C(CC(=O)O)C4CC4

>  <Isomeric SMILES>
CC(C)COC1=NC(=CN=C1C2=C(C=CC(=C2)OC)F)COC3=CC=CC(=C3)[C@@H](CC(=O)O)C4CC4

>  <InChI Std. ID>
InChI=1S/C28H31FN2O5/c1-17(2)15-36-28-27(24-12-21(34-3)9-10-25(24)29)30-14-20(31-28)16-35-22-6-4-5-19(11-22)23(13-26(32)33)18-7-8-18/h4-6,9-12,14,17-18,23H,7-8,13,15-16H2,1-3H3,(H,32,33)/t23-/m0/s1

>  <InChI Key>
JCCLBNNUYSQXLM-QHCPKHFHSA-N

