
 CHEMBL3597625

 78 81  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3597625

>  <PubChem CID>
122183759

>  <Formula>
C35H36ClNO5

>  <Molecular Weight>
586.125000

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

>  <XlogP>
7.7

>  <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)CC(=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)CC(=O)O

>  <InChI Std. ID>
InChI=1S/C35H36ClNO5/c1-24-27(10-8-13-32(24)36)9-4-6-22-42-29-19-16-26(17-20-29)15-18-28-11-7-12-30-31(23-34(40)41)25(2)37(35(28)30)21-5-3-14-33(38)39/h7-8,10-13,16-17,19-20H,3-6,9,14,21-23H2,1-2H3,(H,38,39)(H,40,41)

>  <InChI Key>
DKHWMPGXVSFESM-UHFFFAOYSA-N

