
 CHEMBL3597627

 84 87  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3597627

>  <PubChem CID>
122183761

>  <Formula>
C37H40ClNO5

>  <Molecular Weight>
614.179000

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

>  <XlogP>
8.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=C(C=CC=C1Cl)CCCCOC2=CC=C(C=C2)C#CC3=C4C(=CC=C3)C(=C(N4CCCCC(=O)O)C)CCCC(=O)O

>  <Isomeric SMILES>
CC1=C(C=CC=C1Cl)CCCCOC2=CC=C(C=C2)C#CC3=C4C(=CC=C3)C(=C(N4CCCCC(=O)O)C)CCCC(=O)O

>  <InChI Std. ID>
InChI=1S/C37H40ClNO5/c1-26-29(11-8-15-34(26)38)10-4-6-25-44-31-22-19-28(20-23-31)18-21-30-12-7-14-33-32(13-9-17-36(42)43)27(2)39(37(30)33)24-5-3-16-35(40)41/h7-8,11-12,14-15,19-20,22-23H,3-6,9-10,13,16-17,24-25H2,1-2H3,(H,40,41)(H,42,43)

>  <InChI Key>
RTFGIFVDEZMXFW-UHFFFAOYSA-N

