
 CHEMBL2392182

 37 39  0  0  0  0  0  0  0  0999 V2000
    2.9160    0.4137    0.7164 C   0  0  0  0  0
    2.4995    1.6587    1.2623 O   0  0  0  0  0
    3.2827    2.7428    0.9953 C   0  0  0  0  0
    4.4762    2.7700    0.2784 C   0  0  0  0  0
    5.2124    3.8905    0.0525 N   0  0  0  0  0
    4.7174    5.0465    0.5745 C   0  0  0  0  0
    3.5351    5.1210    1.3011 C   0  0  0  0  0
    2.8153    3.9488    1.5126 C   0  0  0  0  0
    5.5208    6.2902    0.3457 C   0  0  0  0  0
    5.0946    7.3626    0.7611 O   0  0  0  0  0
    6.7024    6.0858   -0.3464 N   0  0  0  0  0
    7.6798    7.0510   -0.6849 C   0  0  0  0  0
    8.7622    6.6600   -1.4932 C   0  0  0  0  0
    9.7324    7.5953   -1.8623 C   0  0  0  0  0
    9.6610    8.9189   -1.4263 C   0  0  0  0  0
    8.6034    9.2996   -0.6107 C   0  0  0  0  0
    7.6187    8.3791   -0.2426 C   0  0  0  0  0
    8.4991   11.0827    0.0108 Br  0  0  0  0  0
   10.8417    7.1699   -2.7253 C   0  0  0  0  0
   11.7084    7.9444   -3.1062 O   0  0  0  0  0
   10.8717    5.7566   -3.1143 C   0  0  0  0  0
    9.8954    4.9419   -2.6913 C   0  0  0  0  0
    8.8254    5.3471   -1.9037 O   0  0  0  0  0
    9.9196    3.5062   -3.0650 C   0  0  0  0  0
    9.0719    2.6869   -2.7504 O   0  0  0  0  0
   10.9876    3.1441   -3.7974 O   0  0  0  0  0
    2.1769   -0.3402    1.0049 H   0  0  0  0  0
    3.8837    0.1081    1.1269 H   0  0  0  0  0
    2.9441    0.4532   -0.3773 H   0  0  0  0  0
    4.9065    1.8724   -0.1547 H   0  0  0  0  0
    3.1813    6.0671    1.6991 H   0  0  0  0  0
    1.8892    3.9760    2.0816 H   0  0  0  0  0
    6.8540    5.1281   -0.6646 H   0  0  0  0  0
   10.4245    9.6360   -1.7188 H   0  0  0  0  0
    6.8157    8.7225    0.4019 H   0  0  0  0  0
   11.7035    5.4443   -3.7336 H   0  0  0  0  0
   10.8583    2.1840   -3.9487 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
  4 30  1  0  0  0
  5  6  2  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>
CHEMBL2392182

>  <PubChem CID>
71733939

>  <Formula>
C17H11BrN2O6

>  <Molecular Weight>
419.187000

>  <IUPAC Name>
6-bromo-8-[(5-methoxypyridine-2-carbonyl)amino]-4-oxochromene-2-carboxylic acid

>  <XlogP>
2.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

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

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

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

>  <InChI Key>
HUCLWZDRJIRCBM-UHFFFAOYSA-N

