
 SCHEMBL17418947

 70 74  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL17418947

>  <PubChem CID>
118645715

>  <Formula>
C30H32FN3O4

>  <Molecular Weight>
517.601000

>  <IUPAC Name>
(3S)-3-cyclopropyl-3-[3-[[6-(5,5-dimethylcyclopenten-1-yl)-5-(5-fluoro-2-methoxypyridin-4-yl)pyrazin-2-yl]methoxy]phenyl]propanoic acid

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC1(CCC=C1C2=NC(=CN=C2C3=CC(=NC=C3F)OC)COC4=CC=CC(=C4)C(CC(=O)O)C5CC5)C

>  <Isomeric SMILES>
CC1(CCC=C1C2=NC(=CN=C2C3=CC(=NC=C3F)OC)COC4=CC=CC(=C4)[C@@H](CC(=O)O)C5CC5)C

>  <InChI Std. ID>
InChI=1S/C30H32FN3O4/c1-30(2)11-5-8-24(30)29-28(23-13-26(37-3)32-16-25(23)31)33-15-20(34-29)17-38-21-7-4-6-19(12-21)22(14-27(35)36)18-9-10-18/h4,6-8,12-13,15-16,18,22H,5,9-11,14,17H2,1-3H3,(H,35,36)/t22-/m0/s1

>  <InChI Key>
NEANWAJDBGJJSW-QFIPXVFZSA-N

