
 SCHEMBL17418790

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M  END

>  <Chemical Name>
SCHEMBL17418790

>  <PubChem CID>
118645569

>  <Formula>
C28H30FN3O5

>  <Molecular Weight>
507.562000

>  <IUPAC Name>
(3S)-3-cyclopropyl-3-[3-[[5-(2-fluoro-5-methoxyphenyl)-6-morpholin-4-ylpyrazin-2-yl]methoxy]phenyl]propanoic acid

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
COC1=CC(=C(C=C1)F)C2=NC=C(N=C2N3CCOCC3)COC4=CC=CC(=C4)C(CC(=O)O)C5CC5

>  <Isomeric SMILES>
COC1=CC(=C(C=C1)F)C2=NC=C(N=C2N3CCOCC3)COC4=CC=CC(=C4)[C@@H](CC(=O)O)C5CC5

>  <InChI Std. ID>
InChI=1S/C28H30FN3O5/c1-35-21-7-8-25(29)24(14-21)27-28(32-9-11-36-12-10-32)31-20(16-30-27)17-37-22-4-2-3-19(13-22)23(15-26(33)34)18-5-6-18/h2-4,7-8,13-14,16,18,23H,5-6,9-12,15,17H2,1H3,(H,33,34)/t23-/m0/s1

>  <InChI Key>
IFVQUUXKGCQMQJ-QHCPKHFHSA-N

