
 SCHEMBL17418585

 71 75  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL17418585

>  <PubChem CID>
118645388

>  <Formula>
C30H33FN2O5

>  <Molecular Weight>
520.601000

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

>  <XlogP>
5.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
COC1=CC(=C(C=C1)F)C2=NC=C(N=C2OC3CCCCC3)COC4=CC=CC(=C4)C(CC(=O)O)C5CC5

>  <Isomeric SMILES>
COC1=CC(=C(C=C1)F)C2=NC=C(N=C2OC3CCCCC3)COC4=CC=CC(=C4)[C@@H](CC(=O)O)C5CC5

>  <InChI Std. ID>
InChI=1S/C30H33FN2O5/c1-36-23-12-13-27(31)26(15-23)29-30(38-22-7-3-2-4-8-22)33-21(17-32-29)18-37-24-9-5-6-20(14-24)25(16-28(34)35)19-10-11-19/h5-6,9,12-15,17,19,22,25H,2-4,7-8,10-11,16,18H2,1H3,(H,34,35)/t25-/m0/s1

>  <InChI Key>
LWPDLDPDHFFUTG-VWLOTQADSA-N

