
 SCHEMBL17418575

 83 87  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL17418575

>  <PubChem CID>
118645378

>  <Formula>
C34H41FN2O5

>  <Molecular Weight>
576.709000

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

>  <XlogP>
7.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC1(CC(CC(C1)(C)C)OC2=NC(=CN=C2C3=C(C=CC(=C3)OC)F)COC4=CC=CC(=C4)C(CC(=O)O)C5CC5)C

>  <Isomeric SMILES>
CC1(CC(CC(C1)(C)C)OC2=NC(=CN=C2C3=C(C=CC(=C3)OC)F)COC4=CC=CC(=C4)[C@@H](CC(=O)O)C5CC5)C

>  <InChI Std. ID>
InChI=1S/C34H41FN2O5/c1-33(2)16-26(17-34(3,4)20-33)42-32-31(28-14-24(40-5)11-12-29(28)35)36-18-23(37-32)19-41-25-8-6-7-22(13-25)27(15-30(38)39)21-9-10-21/h6-8,11-14,18,21,26-27H,9-10,15-17,19-20H2,1-5H3,(H,38,39)/t27-/m0/s1

>  <InChI Key>
BUZDQZLYIICDDD-MHZLTWQESA-N

