
 CHEMBL3597629

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

>  <Chemical Name>
CHEMBL3597629

>  <PubChem CID>
122183762

>  <Formula>
C36H37ClFNO5

>  <Molecular Weight>
618.142000

>  <IUPAC Name>
4-[1-(3-carboxypropyl)-7-[2-[4-[4-(3-chloro-2-methylphenyl)butoxy]phenyl]ethynyl]-5-fluoro-2-methylindol-3-yl]butanoic acid

>  <XlogP>
8.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=C(C=CC=C1Cl)CCCCOC2=CC=C(C=C2)C#CC3=CC(=CC4=C3N(C(=C4CCCC(=O)O)C)CCCC(=O)O)F

>  <Isomeric SMILES>
CC1=C(C=CC=C1Cl)CCCCOC2=CC=C(C=C2)C#CC3=CC(=CC4=C3N(C(=C4CCCC(=O)O)C)CCCC(=O)O)F

>  <InChI Std. ID>
InChI=1S/C36H37ClFNO5/c1-24-27(9-5-11-33(24)37)8-3-4-21-44-30-18-15-26(16-19-30)14-17-28-22-29(38)23-32-31(10-6-12-34(40)41)25(2)39(36(28)32)20-7-13-35(42)43/h5,9,11,15-16,18-19,22-23H,3-4,6-8,10,12-13,20-21H2,1-2H3,(H,40,41)(H,42,43)

>  <InChI Key>
ADVWQSAFRXRCRX-UHFFFAOYSA-N

