
 CHEMBL156269

 55 59  0  0  0  0  0  0  0  0999 V2000
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    0.2260    2.0184   -0.0397 C   0  0  0  0  0
    1.4544    1.4010   -0.3246 C   0  0  0  0  0
    1.5122   -0.0033   -0.4282 C   0  0  0  0  0
    6.9263    3.7173   -2.8926 H   0  0  0  0  0
    7.9300    3.0301   -1.6086 H   0  0  0  0  0
    6.9354    4.5090   -1.3134 H   0  0  0  0  0
    7.0933    3.6898    0.7916 H   0  0  0  0  0
    7.0936    2.5570    2.9654 H   0  0  0  0  0
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    2.3379    2.0193   -0.4537 H   0  0  0  0  0
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  3  8  1  0  0  0
  4  5  1  0  0  0
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  5 39  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL156269

>  <PubChem CID>
44371467

>  <Formula>
C27H21NO6

>  <Molecular Weight>
455.466000

>  <IUPAC Name>
4-(2-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]-2-oxo-[1]benzofuro[3,2-b]pyridine-3-carboxylic acid

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
COC1=CC=CC=C1CN2C3=C(C(=C(C2=O)C(=O)O)C4=CC=CC=C4OC)OC5=CC=CC=C53

>  <Isomeric SMILES>
COC1=CC=CC=C1CN2C3=C(C(=C(C2=O)C(=O)O)C4=CC=CC=C4OC)OC5=CC=CC=C53

>  <InChI Std. ID>
InChI=1S/C27H21NO6/c1-32-19-12-6-3-9-16(19)15-28-24-18-11-5-8-14-21(18)34-25(24)22(23(26(28)29)27(30)31)17-10-4-7-13-20(17)33-2/h3-14H,15H2,1-2H3,(H,30,31)

>  <InChI Key>
BJKAHBCPRIGDFP-UHFFFAOYSA-N

