
 CHEMBL3780732

 65 69  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3780732

>  <PubChem CID>
127031697

>  <Formula>
C30H29NO5

>  <Molecular Weight>
483.564000

>  <IUPAC Name>
2-[6-[[3-(2,5-dimethylpyrrol-1-yl)-4-phenylmethoxyphenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid

>  <XlogP>
5.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=CC=C(N1C2=C(C=CC(=C2)COC3=CC4=C(C=C3)C(CO4)CC(=O)O)OCC5=CC=CC=C5)C

>  <Isomeric SMILES>
CC1=CC=C(N1C2=C(C=CC(=C2)COC3=CC4=C(C=C3)C(CO4)CC(=O)O)OCC5=CC=CC=C5)C

>  <InChI Std. ID>
InChI=1S/C30H29NO5/c1-20-8-9-21(2)31(20)27-14-23(10-13-28(27)35-17-22-6-4-3-5-7-22)18-34-25-11-12-26-24(15-30(32)33)19-36-29(26)16-25/h3-14,16,24H,15,17-19H2,1-2H3,(H,32,33)

>  <InChI Key>
BQKBCTUZBLGRIT-UHFFFAOYSA-N

