
 CHEMBL2392183

 37 39  0  0  0  0  0  0  0  0999 V2000
   -0.5663    5.5820    2.9464 C   0  0  0  0  0
    0.2926    4.9061    2.0309 O   0  0  0  0  0
    1.1904    5.7520    1.4135 C   0  0  0  0  0
    1.1771    7.0689    1.6968 N   0  0  0  0  0
    2.0859    7.8385    1.0487 C   0  0  0  0  0
    3.0238    7.3540    0.1389 C   0  0  0  0  0
    3.0038    5.9863   -0.1399 C   0  0  0  0  0
    2.0713    5.1729    0.5108 C   0  0  0  0  0
    3.9519    8.3366   -0.4781 C   0  0  0  0  0
    3.6066    9.5133   -0.4733 O   0  0  0  0  0
    5.1384    7.8469   -0.9983 N   0  0  0  0  0
    6.1912    8.6112   -1.5702 C   0  0  0  0  0
    7.2655    7.9221   -2.1624 C   0  0  0  0  0
    8.3189    8.6310   -2.7461 C   0  0  0  0  0
    8.3363   10.0261   -2.7386 C   0  0  0  0  0
    7.2837   10.7071   -2.1406 C   0  0  0  0  0
    6.2177   10.0114   -1.5628 C   0  0  0  0  0
    7.2963   12.5981   -2.1050 Br  0  0  0  0  0
    9.4154    7.8870   -3.3819 C   0  0  0  0  0
   10.3634    8.4479   -3.9128 O   0  0  0  0  0
    9.3218    6.4232   -3.3565 C   0  0  0  0  0
    8.2671    5.8524   -2.7611 C   0  0  0  0  0
    7.2299    6.5446   -2.1545 O   0  0  0  0  0
    8.2215    4.3715   -2.7599 C   0  0  0  0  0
    9.0434    3.6152   -3.2486 O   0  0  0  0  0
    7.1279    3.9021   -2.1329 O   0  0  0  0  0
   -1.2366    4.8380    3.3874 H   0  0  0  0  0
   -1.1868    6.3263    2.4347 H   0  0  0  0  0
    0.0043    6.0397    3.7624 H   0  0  0  0  0
    2.0360    8.8968    1.2980 H   0  0  0  0  0
    3.6696    5.5336   -0.8663 H   0  0  0  0  0
    2.0241    4.1070    0.3142 H   0  0  0  0  0
    5.3057    6.8478   -0.9816 H   0  0  0  0  0
    9.1625   10.5679   -3.1940 H   0  0  0  0  0
    5.4256   10.5911   -1.0995 H   0  0  0  0  0
   10.1251    5.8698   -3.8291 H   0  0  0  0  0
    7.2258    2.9282   -2.2010 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 30  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  7 31  1  0  0  0
  8 32  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 12  1  0  0  0
 11 33  1  0  0  0
 12 17  1  0  0  0
 12 13  2  0  0  0
 13 23  1  0  0  0
 13 14  1  0  0  0
 14 19  1  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
 15 34  1  0  0  0
 16 17  2  0  0  0
 16 18  1  0  0  0
 17 35  1  0  0  0
 19 21  1  0  0  0
 19 20  2  0  0  0
 21 22  2  0  0  0
 21 36  1  0  0  0
 22 23  1  0  0  0
 22 24  1  0  0  0
 24 26  1  0  0  0
 24 25  2  0  0  0
 26 37  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2392183

>  <PubChem CID>
71733940

>  <Formula>
C17H11BrN2O6

>  <Molecular Weight>
419.187000

>  <IUPAC Name>
6-bromo-8-[(6-methoxypyridine-3-carbonyl)amino]-4-oxochromene-2-carboxylic acid

>  <XlogP>
2.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
COC1=NC=C(C=C1)C(=O)NC2=C3C(=CC(=C2)Br)C(=O)C=C(O3)C(=O)O

>  <Isomeric SMILES>
COC1=NC=C(C=C1)C(=O)NC2=C3C(=CC(=C2)Br)C(=O)C=C(O3)C(=O)O

>  <InChI Std. ID>
InChI=1S/C17H11BrN2O6/c1-25-14-3-2-8(7-19-14)16(22)20-11-5-9(18)4-10-12(21)6-13(17(23)24)26-15(10)11/h2-7H,1H3,(H,20,22)(H,23,24)

>  <InChI Key>
FFRLOXKAKNBOMY-UHFFFAOYSA-N

