
 SCHEMBL17418793

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M  END

>  <Chemical Name>
SCHEMBL17418793

>  <PubChem CID>
118645571

>  <Formula>
C33H33FN2O4

>  <Molecular Weight>
540.635000

>  <IUPAC Name>
(3S)-3-cyclopropyl-3-[3-[[5-(2-fluoro-5-methoxyphenyl)-6-(4-propan-2-ylphenyl)pyrazin-2-yl]methoxy]phenyl]propanoic acid

>  <XlogP>
6.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

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

>  <Isomeric SMILES>
CC(C)C1=CC=C(C=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/C33H33FN2O4/c1-20(2)21-7-11-23(12-8-21)32-33(29-16-26(39-3)13-14-30(29)34)35-18-25(36-32)19-40-27-6-4-5-24(15-27)28(17-31(37)38)22-9-10-22/h4-8,11-16,18,20,22,28H,9-10,17,19H2,1-3H3,(H,37,38)/t28-/m0/s1

>  <InChI Key>
NLCAAJNMYUAZQJ-NDEPHWFRSA-N

