
 SCHEMBL17418598

 67 71  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL17418598

>  <PubChem CID>
118645401

>  <Formula>
C28H30FN3O5

>  <Molecular Weight>
507.562000

>  <IUPAC Name>
(3S)-3-[3-[[6-cyclopentyloxy-5-(5-fluoro-2-methoxypyridin-4-yl)pyrazin-2-yl]methoxy]phenyl]-3-cyclopropylpropanoic acid

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
COC1=NC=C(C(=C1)C2=NC=C(N=C2OC3CCCC3)COC4=CC=CC(=C4)C(CC(=O)O)C5CC5)F

>  <Isomeric SMILES>
COC1=NC=C(C(=C1)C2=NC=C(N=C2OC3CCCC3)COC4=CC=CC(=C4)[C@@H](CC(=O)O)C5CC5)F

>  <InChI Std. ID>
InChI=1S/C28H30FN3O5/c1-35-25-12-23(24(29)15-30-25)27-28(37-20-6-2-3-7-20)32-19(14-31-27)16-36-21-8-4-5-18(11-21)22(13-26(33)34)17-9-10-17/h4-5,8,11-12,14-15,17,20,22H,2-3,6-7,9-10,13,16H2,1H3,(H,33,34)/t22-/m0/s1

>  <InChI Key>
HCURXNAVTZRCMB-QFIPXVFZSA-N

