
 AZD-6538

 28 30  0  0  0  0  0  0  0  0999 V2000
   -1.4875    0.1568    0.4545 C   0  0  0  0  0
   -0.8108    1.3491    0.1876 C   0  0  0  0  0
    0.5757    1.3241    0.0299 C   0  0  0  0  0
    1.2899    0.1707    0.1299 N   0  0  0  0  0
    0.6078   -0.9720    0.3901 C   0  0  0  0  0
   -0.7668   -1.0308    0.5583 C   0  0  0  0  0
   -1.4162   -2.2736    0.8285 C   0  0  0  0  0
   -1.9484   -3.2810    1.0476 N   0  0  0  0  0
    1.3261    2.5530   -0.2563 C   0  0  0  0  0
    0.7500    3.7646   -0.3683 N   0  0  0  0  0
    1.8154    4.6159   -0.6440 O   0  0  0  0  0
    2.9403    3.8441   -0.6744 C   0  0  0  0  0
    2.6968    2.5756   -0.4417 N   0  0  0  0  0
    4.2028    4.5182   -0.9547 C   0  0  0  0  0
    4.2672    5.8965   -1.1967 C   0  0  0  0  0
    5.4912    6.5029   -1.4625 C   0  0  0  0  0
    6.6687    5.7693   -1.4937 C   0  0  0  0  0
    6.6247    4.3955   -1.2541 C   0  0  0  0  0
    5.3963    3.7744   -0.9856 C   0  0  0  0  0
    7.8333    3.6248   -1.2832 C   0  0  0  0  0
    8.8159    3.0095   -1.3087 N   0  0  0  0  0
    5.5326    7.8210   -1.6932 F   0  0  0  0  0
   -2.5686    0.1666    0.5777 H   0  0  0  0  0
   -1.3680    2.2783    0.1045 H   0  0  0  0  0
    1.2281   -1.8634    0.4592 H   0  0  0  0  0
    3.3764    6.5198   -1.1853 H   0  0  0  0  0
    7.6066    6.2777   -1.7053 H   0  0  0  0  0
    5.3644    2.6990   -0.7989 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  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  9  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 25  1  0  0  0
  6  7  1  0  0  0
  7  8  3  0  0  0
  9 13  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 14  1  0  0  0
 14 19  1  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
 15 26  1  0  0  0
 16 17  2  0  0  0
 16 22  1  0  0  0
 17 18  1  0  0  0
 17 27  1  0  0  0
 18 19  2  0  0  0
 18 20  1  0  0  0
 19 28  1  0  0  0
 20 21  3  0  0  0
M  END

>  <Chemical Name>
AZD-6538

>  <PubChem CID>
9879103

>  <Formula>
C15H6FN5O

>  <Molecular Weight>
291.245000

>  <IUPAC Name>
6-[5-(3-cyano-5-fluorophenyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carbonitrile

>  <XlogP>
2.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1=CC(=NC=C1C#N)C2=NOC(=N2)C3=CC(=CC(=C3)C#N)F

>  <Isomeric SMILES>
C1=CC(=NC=C1C#N)C2=NOC(=N2)C3=CC(=CC(=C3)C#N)F

>  <InChI Std. ID>
InChI=1S/C15H6FN5O/c16-12-4-10(7-18)3-11(5-12)15-20-14(21-22-15)13-2-1-9(6-17)8-19-13/h1-5,8H

>  <InChI Key>
PBVKGEMPZBKZOA-UHFFFAOYSA-N

