
 SCHEMBL17419029

 67 71  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL17419029

>  <PubChem CID>
118645781

>  <Formula>
C31H29FN2O4

>  <Molecular Weight>
512.581000

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

>  <XlogP>
5.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=CC=CC(=C1)C2=NC(=CN=C2C3=C(C=CC(=C3)OC)F)COC4=CC=CC(=C4)C(CC(=O)O)C5CC5

>  <Isomeric SMILES>
CC1=CC=CC(=C1)C2=NC(=CN=C2C3=C(C=CC(=C3)OC)F)COC4=CC=CC(=C4)[C@@H](CC(=O)O)C5CC5

>  <InChI Std. ID>
InChI=1S/C31H29FN2O4/c1-19-5-3-7-22(13-19)30-31(27-15-24(37-2)11-12-28(27)32)33-17-23(34-30)18-38-25-8-4-6-21(14-25)26(16-29(35)36)20-9-10-20/h3-8,11-15,17,20,26H,9-10,16,18H2,1-2H3,(H,35,36)/t26-/m0/s1

>  <InChI Key>
NTFBDXAQEWSVHG-SANMLTNESA-N

