
 CHEMBL2047163

 70 75  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL2047163

>  <PubChem CID>
57414676

>  <Formula>
C33H30N2O5

>  <Molecular Weight>
534.612000

>  <IUPAC Name>
2-[(3S)-6-[[3-[4-(imidazo[1,2-a]pyridin-5-ylmethoxy)-2,6-dimethylphenyl]phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid

>  <XlogP>
6.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=CC(=CC(=C1C2=CC(=CC=C2)COC3=CC4=C(C=C3)C(CO4)CC(=O)O)C)OCC5=CC=CC6=NC=CN65

>  <Isomeric SMILES>
CC1=CC(=CC(=C1C2=CC(=CC=C2)COC3=CC4=C(C=C3)[C@@H](CO4)CC(=O)O)C)OCC5=CC=CC6=NC=CN65

>  <InChI Std. ID>
InChI=1S/C33H30N2O5/c1-21-13-28(39-20-26-7-4-8-31-34-11-12-35(26)31)14-22(2)33(21)24-6-3-5-23(15-24)18-38-27-9-10-29-25(16-32(36)37)19-40-30(29)17-27/h3-15,17,25H,16,18-20H2,1-2H3,(H,36,37)/t25-/m1/s1

>  <InChI Key>
MBUJCOVRBLAAMC-RUZDIDTESA-N

