
 CHEMBL3597623

 78 81  0  0  0  0  0  0  0  0999 V2000
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    1.2933    3.8015    5.5278 H   0  0  0  0  0
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   -8.3617    1.9242   -1.5285 H   0  0  0  0  0
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   -8.9251    2.2411    0.9572 H   0  0  0  0  0
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   -7.2533   -0.2761    0.3679 H   0  0  0  0  0
   -8.0305   -1.0986    2.2466 H   0  0  0  0  0
  -10.8190   -0.8643   -0.5395 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3597623

>  <PubChem CID>
122183758

>  <Formula>
C35H36ClNO5

>  <Molecular Weight>
586.125000

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

>  <XlogP>
7.6

>  <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(N4CCCC(=O)O)C)CCC(=O)O

>  <Isomeric SMILES>
CC1=C(C=CC=C1Cl)CCCCOC2=CC=C(C=C2)C#CC3=C4C(=CC=C3)C(=C(N4CCCC(=O)O)C)CCC(=O)O

>  <InChI Std. ID>
InChI=1S/C35H36ClNO5/c1-24-27(9-6-12-32(24)36)8-3-4-23-42-29-18-15-26(16-19-29)14-17-28-10-5-11-31-30(20-21-34(40)41)25(2)37(35(28)31)22-7-13-33(38)39/h5-6,9-12,15-16,18-19H,3-4,7-8,13,20-23H2,1-2H3,(H,38,39)(H,40,41)

>  <InChI Key>
NNXQWWHDHOWWDX-UHFFFAOYSA-N

