
 CHEMBL324100

 37 41  0  0  0  0  0  0  0  0999 V2000
   -1.4602   -0.2306    0.2185 C   0  0  0  0  0
   -0.5958   -1.1445    0.8117 C   0  0  0  0  0
    0.7888   -0.9934    0.6753 C   0  0  0  0  0
    1.3420    0.0739   -0.0517 C   0  0  0  0  0
    0.4444    0.9696   -0.6586 C   0  0  0  0  0
   -0.9405    0.8254   -0.5214 C   0  0  0  0  0
    2.7456    0.2378   -0.1717 N   0  0  0  0  0
    3.5050    1.4403   -0.2465 C   0  0  0  0  0
    3.1293    2.7629   -0.0992 C   0  0  0  0  0
    4.1156    3.7507   -0.2128 C   0  0  0  0  0
    5.4583    3.4098   -0.4499 C   0  0  0  0  0
    5.8450    2.0734   -0.5630 C   0  0  0  0  0
    4.8577    1.1130   -0.4496 C   0  0  0  0  0
    4.9465   -0.2850   -0.4765 N   0  0  0  0  0
    3.6718   -0.8145   -0.3053 C   0  0  0  0  0
    3.4683   -2.0938   -0.3033 N   0  0  0  0  0
    4.5471   -2.9811   -0.4439 N   0  0  0  0  0
    5.7615   -2.5359   -0.6004 C   0  0  0  0  0
    6.0699   -1.0471   -0.6463 C   0  0  0  0  0
    7.2004   -0.6175   -0.8219 O   0  0  0  0  0
    6.8399   -3.4897   -0.7290 C   0  0  0  0  0
    6.8230   -4.8756   -0.7444 C   0  0  0  0  0
    8.1636   -5.3070   -0.8906 C   0  0  0  0  0
    8.9229   -4.1650   -0.9540 C   0  0  0  0  0
    8.1344   -3.0669   -0.8559 O   0  0  0  0  0
   -2.5354   -0.3477    0.3246 H   0  0  0  0  0
   -0.9935   -1.9792    1.3835 H   0  0  0  0  0
    1.4318   -1.7208    1.1663 H   0  0  0  0  0
    0.8101    1.7791   -1.2842 H   0  0  0  0  0
   -1.6101    1.5334   -1.0030 H   0  0  0  0  0
    2.1083    3.0514    0.1210 H   0  0  0  0  0
    3.8418    4.7988   -0.1060 H   0  0  0  0  0
    6.2071    4.1954   -0.5316 H   0  0  0  0  0
    6.8864    1.8157   -0.7251 H   0  0  0  0  0
    5.9384   -5.4933   -0.6595 H   0  0  0  0  0
    8.5304   -6.3224   -0.9428 H   0  0  0  0  0
    9.9813   -3.9709   -1.0618 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
  2 27  1  0  0  0
  3  4  2  0  0  0
  3 28  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 29  1  0  0  0
  6 30  1  0  0  0
  7 15  1  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 31  1  0  0  0
 10 11  2  0  0  0
 10 32  1  0  0  0
 11 12  1  0  0  0
 11 33  1  0  0  0
 12 13  2  0  0  0
 12 34  1  0  0  0
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 14 19  1  0  0  0
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 19 20  2  0  0  0
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 22 23  1  0  0  0
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 24 37  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL324100

>  <PubChem CID>
10687707

>  <Formula>
C19H12N4O2

>  <Molecular Weight>
328.331000

>  <IUPAC Name>
3-(furan-2-yl)-10-phenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1=CC=C(C=C1)N2C3=CC=CC=C3N4C2=NN=C(C4=O)C5=CC=CO5

>  <Isomeric SMILES>
C1=CC=C(C=C1)N2C3=CC=CC=C3N4C2=NN=C(C4=O)C5=CC=CO5

>  <InChI Std. ID>
InChI=1S/C19H12N4O2/c24-18-17(16-11-6-12-25-16)20-21-19-22(13-7-2-1-3-8-13)14-9-4-5-10-15(14)23(18)19/h1-12H

>  <InChI Key>
AWLXMIOPONXPFQ-UHFFFAOYSA-N

