
 CHEMBL157552

 59 63  0  0  0  0  0  0  0  0999 V2000
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    3.2725   -1.3261    1.7605 O   0  0  0  0  0
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    5.8312   -7.0819   -1.3277 N   0  0  0  0  0
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    8.3628    2.5329   -3.0515 C   0  0  0  0  0
    9.2164    1.7096   -2.7561 O   0  0  0  0  0
    8.3819    3.0874   -4.2761 O   0  0  0  0  0
    5.9757    4.7924   -3.9474 Cl  0  0  0  0  0
    6.4932    6.2024    4.9119 H   0  0  0  0  0
    6.5848    7.0715    3.3703 H   0  0  0  0  0
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    4.9776    5.1585    3.2563 H   0  0  0  0  0
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    7.5503    4.6524    1.6638 H   0  0  0  0  0
    6.2754    5.7727    1.1935 H   0  0  0  0  0
    4.6368    3.8862    1.0800 H   0  0  0  0  0
    5.8748    2.7633    1.6008 H   0  0  0  0  0
    7.7673    1.9032    0.9169 H   0  0  0  0  0
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  1  2  1  0  0  0
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  1 39  1  0  0  0
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  5  6  2  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 36  1  0  0  0
  8  9  1  0  0  0
  8 33  1  0  0  0
  9 10  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL157552

>  <PubChem CID>
18950944

>  <Formula>
C25H23ClN6O4

>  <Molecular Weight>
506.947000

>  <IUPAC Name>
2-butyl-5-chloro-3-[[3-methoxy-2-[2-(2H-tetrazol-5-yl)phenyl]-1-benzofuran-5-yl]methyl]imidazole-4-carboxylic acid

>  <XlogP>
5.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CCCCC1=NC(=C(N1CC2=CC3=C(C=C2)OC(=C3OC)C4=CC=CC=C4C5=NNN=N5)C(=O)O)Cl

>  <Isomeric SMILES>
CCCCC1=NC(=C(N1CC2=CC3=C(C=C2)OC(=C3OC)C4=CC=CC=C4C5=NNN=N5)C(=O)O)Cl

>  <InChI Std. ID>
InChI=1S/C25H23ClN6O4/c1-3-4-9-19-27-23(26)20(25(33)34)32(19)13-14-10-11-18-17(12-14)21(35-2)22(36-18)15-7-5-6-8-16(15)24-28-30-31-29-24/h5-8,10-12H,3-4,9,13H2,1-2H3,(H,33,34)(H,28,29,30,31)

>  <InChI Key>
AEOGCERNDXZVQC-UHFFFAOYSA-N

