
 CHEMBL1213921

 68 74  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1213921

>  <PubChem CID>
10532372

>  <Formula>
C36H23BrN2O6

>  <Molecular Weight>
659.492000

>  <IUPAC Name>
6-bromo-4-oxo-3-(quinolin-2-ylmethoxy)-2-[3-(quinolin-2-ylmethoxy)phenyl]chromene-8-carboxylic acid

>  <XlogP>
7.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=CC(=C3)C4=C(C(=O)C5=CC(=CC(=C5O4)C(=O)O)Br)OCC6=NC7=CC=CC=C7C=C6

>  <Isomeric SMILES>
C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=CC(=C3)C4=C(C(=O)C5=CC(=CC(=C5O4)C(=O)O)Br)OCC6=NC7=CC=CC=C7C=C6

>  <InChI Std. ID>
InChI=1S/C36H23BrN2O6/c37-24-17-28-32(40)35(44-20-26-15-13-22-7-2-4-11-31(22)39-26)33(45-34(28)29(18-24)36(41)42)23-8-5-9-27(16-23)43-19-25-14-12-21-6-1-3-10-30(21)38-25/h1-18H,19-20H2,(H,41,42)

>  <InChI Key>
AJCUVQGKLQCMGU-UHFFFAOYSA-N

