
 CHEMBL515433

 31 34  0  0  0  0  0  0  0  0999 V2000
   -2.7598    1.2789    0.0890 C   0  0  0  0  0
   -1.3940    1.5468    0.0494 C   0  0  0  0  0
   -0.5007    0.4804   -0.0065 C   0  0  0  0  0
   -1.0131   -0.8262   -0.0205 C   0  0  0  0  0
   -2.3330   -1.0979    0.0209 N   0  0  0  0  0
   -3.1754   -0.0437    0.0732 C   0  0  0  0  0
   -0.1919   -1.9697   -0.0775 N   0  0  0  0  0
    1.0985   -1.8181   -0.1267 C   0  0  0  0  0
    1.7124   -0.4397   -0.0930 C   0  0  0  0  0
    2.9849   -0.1829   -0.0943 N   0  0  0  0  0
    3.0194    1.2048   -0.0502 N   0  0  0  0  0
    1.6967    1.7314   -0.0148 C   0  0  0  0  0
    1.3460    2.9011    0.0356 O   0  0  0  0  0
    0.8844    0.6222   -0.0425 N   0  0  0  0  0
    4.2576    1.8823   -0.0420 C   0  0  0  0  0
    4.3350    3.2816    0.0116 C   0  0  0  0  0
    5.5749    3.9306    0.0189 C   0  0  0  0  0
    6.7435    3.1834   -0.0280 C   0  0  0  0  0
    6.6973    1.7982   -0.0823 C   0  0  0  0  0
    5.4583    1.1509   -0.0893 C   0  0  0  0  0
    7.9287    3.8065   -0.0209 F   0  0  0  0  0
    1.9252   -2.9076   -0.1945 N   0  0  0  0  0
   -3.4851    2.0847    0.1319 H   0  0  0  0  0
   -1.0554    2.5785    0.0624 H   0  0  0  0  0
   -4.2314   -0.2991    0.1031 H   0  0  0  0  0
    3.4429    3.9002    0.0489 H   0  0  0  0  0
    5.6304    5.0139    0.0605 H   0  0  0  0  0
    7.6202    1.2288   -0.1198 H   0  0  0  0  0
    5.4420    0.0652   -0.1346 H   0  0  0  0  0
    1.4856   -3.7792    0.0806 H   0  0  0  0  0
    2.8777   -2.7785    0.1315 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  2  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  3  4  2  0  0  0
  3 14  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  6 25  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 22  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 15  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 26  1  0  0  0
 17 18  2  0  0  0
 17 27  1  0  0  0
 18 19  1  0  0  0
 18 21  1  0  0  0
 19 20  2  0  0  0
 19 28  1  0  0  0
 20 29  1  0  0  0
 22 30  1  0  0  0
 22 31  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL515433

>  <PubChem CID>
42626156

>  <Formula>
C14H9FN6O

>  <Molecular Weight>
296.265000

>  <IUPAC Name>


>  <XlogP>
1.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1=CC2=C(N=C1)N=C(C3=NN(C(=O)N23)C4=CC=C(C=C4)F)N

>  <Isomeric SMILES>
C1=CC2=C(N=C1)N=C(C3=NN(C(=O)N23)C4=CC=C(C=C4)F)N

>  <InChI Std. ID>
InChI=1S/C14H9FN6O/c15-8-3-5-9(6-4-8)21-14(22)20-10-2-1-7-17-12(10)18-11(16)13(20)19-21/h1-7H,(H2,16,17,18)

>  <InChI Key>
BQGQSBDUMCBKES-UHFFFAOYSA-N

