
 SCHEMBL17418582

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M  END

>  <Chemical Name>
SCHEMBL17418582

>  <PubChem CID>
118645385

>  <Formula>
C26H28FN3O4

>  <Molecular Weight>
465.525000

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

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CN(C)C1=NC(=CN=C1C2=C(C=CC(=C2)OC)F)COC3=CC=CC(=C3)C(CC(=O)O)C4CC4

>  <Isomeric SMILES>
CN(C)C1=NC(=CN=C1C2=C(C=CC(=C2)OC)F)COC3=CC=CC(=C3)[C@@H](CC(=O)O)C4CC4

>  <InChI Std. ID>
InChI=1S/C26H28FN3O4/c1-30(2)26-25(22-12-19(33-3)9-10-23(22)27)28-14-18(29-26)15-34-20-6-4-5-17(11-20)21(13-24(31)32)16-7-8-16/h4-6,9-12,14,16,21H,7-8,13,15H2,1-3H3,(H,31,32)/t21-/m0/s1

>  <InChI Key>
NJQYNMKDHSNQIC-NRFANRHFSA-N

