
 SCHEMBL17419073

 66 69  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL17419073

>  <PubChem CID>
118645821

>  <Formula>
C27H30FN3O5

>  <Molecular Weight>
495.551000

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

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC(C)COC1=NC(=CN=C1C2=CC(=NC=C2F)OC)COC3=CC=CC(=C3)C(CC(=O)O)C4CC4

>  <Isomeric SMILES>
CC(C)COC1=NC(=CN=C1C2=CC(=NC=C2F)OC)COC3=CC=CC(=C3)[C@@H](CC(=O)O)C4CC4

>  <InChI Std. ID>
InChI=1S/C27H30FN3O5/c1-16(2)14-36-27-26(22-10-24(34-3)29-13-23(22)28)30-12-19(31-27)15-35-20-6-4-5-18(9-20)21(11-25(32)33)17-7-8-17/h4-6,9-10,12-13,16-17,21H,7-8,11,14-15H2,1-3H3,(H,32,33)/t21-/m0/s1

>  <InChI Key>
JVHQJROTKODAGV-NRFANRHFSA-N

