
 SCHEMBL17418558

 70 73  0  0  0  0  0  0  0  0999 V2000
    2.0223    0.2877    1.4379 C   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL17418558

>  <PubChem CID>
118645362

>  <Formula>
C29H33FN2O5

>  <Molecular Weight>
508.590000

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

>  <XlogP>
5.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC(C)(C)COC1=NC(=CN=C1C2=C(C=CC(=C2)OC)F)COC3=CC=CC(=C3)C(CC(=O)O)C4CC4

>  <Isomeric SMILES>
CC(C)(C)COC1=NC(=CN=C1C2=C(C=CC(=C2)OC)F)COC3=CC=CC(=C3)[C@@H](CC(=O)O)C4CC4

>  <InChI Std. ID>
InChI=1S/C29H33FN2O5/c1-29(2,3)17-37-28-27(24-13-21(35-4)10-11-25(24)30)31-15-20(32-28)16-36-22-7-5-6-19(12-22)23(14-26(33)34)18-8-9-18/h5-7,10-13,15,18,23H,8-9,14,16-17H2,1-4H3,(H,33,34)/t23-/m0/s1

>  <InChI Key>
KDOIDJOQFPANFW-QHCPKHFHSA-N

