
 SCHEMBL17418762

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M  END

>  <Chemical Name>
SCHEMBL17418762

>  <PubChem CID>
118645543

>  <Formula>
C31H35FN2O5

>  <Molecular Weight>
534.628000

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

>  <XlogP>
6.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
COC1=CC(=C(C=C1)F)C2=NC=C(N=C2OC3CCCCCC3)COC4=CC=CC(=C4)C(CC(=O)O)C5CC5

>  <Isomeric SMILES>
COC1=CC(=C(C=C1)F)C2=NC=C(N=C2OC3CCCCCC3)COC4=CC=CC(=C4)[C@@H](CC(=O)O)C5CC5

>  <InChI Std. ID>
InChI=1S/C31H35FN2O5/c1-37-24-13-14-28(32)27(16-24)30-31(39-23-8-4-2-3-5-9-23)34-22(18-33-30)19-38-25-10-6-7-21(15-25)26(17-29(35)36)20-11-12-20/h6-7,10,13-16,18,20,23,26H,2-5,8-9,11-12,17,19H2,1H3,(H,35,36)/t26-/m0/s1

>  <InChI Key>
NUIAFSGPWFFSBS-SANMLTNESA-N

