
 SCHEMBL17418599

 64 68  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL17418599

>  <PubChem CID>
118645402

>  <Formula>
C29H27FN2O4S

>  <Molecular Weight>
518.603000

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

>  <XlogP>
5.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC1=C(SC=C1)C2=NC(=CN=C2C3=C(C=CC(=C3)OC)F)COC4=CC=CC(=C4)C(CC(=O)O)C5CC5

>  <Isomeric SMILES>
CC1=C(SC=C1)C2=NC(=CN=C2C3=C(C=CC(=C3)OC)F)COC4=CC=CC(=C4)[C@@H](CC(=O)O)C5CC5

>  <InChI Std. ID>
InChI=1S/C29H27FN2O4S/c1-17-10-11-37-29(17)28-27(24-13-21(35-2)8-9-25(24)30)31-15-20(32-28)16-36-22-5-3-4-19(12-22)23(14-26(33)34)18-6-7-18/h3-5,8-13,15,18,23H,6-7,14,16H2,1-2H3,(H,33,34)/t23-/m0/s1

>  <InChI Key>
BBRSWTWQMDNZOI-QHCPKHFHSA-N

