
 CHEMBL3597633

 81 84  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3597633

>  <PubChem CID>
46835000

>  <Formula>
C36H38FNO5

>  <Molecular Weight>
583.700000

>  <IUPAC Name>
4-[1-(3-carboxypropyl)-7-[2-[4-[4-(3-fluoro-2-methylphenyl)butoxy]phenyl]ethynyl]-2-methylindol-3-yl]butanoic acid

>  <XlogP>
7.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=C(C=CC=C1F)CCCCOC2=CC=C(C=C2)C#CC3=C4C(=CC=C3)C(=C(N4CCCC(=O)O)C)CCCC(=O)O

>  <Isomeric SMILES>
CC1=C(C=CC=C1F)CCCCOC2=CC=C(C=C2)C#CC3=C4C(=CC=C3)C(=C(N4CCCC(=O)O)C)CCCC(=O)O

>  <InChI Std. ID>
InChI=1S/C36H38FNO5/c1-25-28(10-6-14-33(25)37)9-3-4-24-43-30-21-18-27(19-22-30)17-20-29-11-5-13-32-31(12-7-15-34(39)40)26(2)38(36(29)32)23-8-16-35(41)42/h5-6,10-11,13-14,18-19,21-22H,3-4,7-9,12,15-16,23-24H2,1-2H3,(H,39,40)(H,41,42)

>  <InChI Key>
AGUZWUNQAJUHQG-UHFFFAOYSA-N

