
 SCHEMBL17418799

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M  END

>  <Chemical Name>
SCHEMBL17418799

>  <PubChem CID>
118645577

>  <Formula>
C32H37FN2O5

>  <Molecular Weight>
548.655000

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

>  <XlogP>
6.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC1(C(C1(C)C)COC2=NC(=CN=C2C3=C(C=CC(=C3)OC)F)COC4=CC=CC(=C4)C(CC(=O)O)C5CC5)C

>  <Isomeric SMILES>
CC1(C(C1(C)C)COC2=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/C32H37FN2O5/c1-31(2)27(32(31,3)4)18-40-30-29(25-14-22(38-5)11-12-26(25)33)34-16-21(35-30)17-39-23-8-6-7-20(13-23)24(15-28(36)37)19-9-10-19/h6-8,11-14,16,19,24,27H,9-10,15,17-18H2,1-5H3,(H,36,37)/t24-/m0/s1

>  <InChI Key>
KRHSBKIXLWPUIY-DEOSSOPVSA-N

