
 AZD-9272

 27 29  0  0  0  0  0  0  0  0999 V2000
   -1.4976    0.1682    0.3923 C   0  0  0  0  0
   -0.8103    1.3734    0.2435 C   0  0  0  0  0
    0.5519    1.3460   -0.0699 C   0  0  0  0  0
    1.2346    0.1790   -0.2343 N   0  0  0  0  0
    0.5389   -0.9742   -0.0838 C   0  0  0  0  0
   -0.8080   -1.0212    0.2244 C   0  0  0  0  0
   -1.4393   -2.1934    0.3586 F   0  0  0  0  0
    1.3126    2.5897   -0.2424 C   0  0  0  0  0
    0.7664    3.8168   -0.1474 N   0  0  0  0  0
    1.8346    4.6763   -0.3886 O   0  0  0  0  0
    2.9303    3.8927   -0.6055 C   0  0  0  0  0
    2.6666    2.6101   -0.5242 N   0  0  0  0  0
    4.1917    4.5681   -0.8842 C   0  0  0  0  0
    4.2797    5.9626   -0.9849 C   0  0  0  0  0
    5.5040    6.5669   -1.2552 C   0  0  0  0  0
    6.6588    5.8154   -1.4293 C   0  0  0  0  0
    6.5900    4.4255   -1.3321 C   0  0  0  0  0
    5.3611    3.8066   -1.0619 C   0  0  0  0  0
    7.7733    3.6359   -1.5077 C   0  0  0  0  0
    8.7362    3.0047   -1.6502 N   0  0  0  0  0
    5.5690    7.9008   -1.3494 F   0  0  0  0  0
   -2.5551    0.1542    0.6345 H   0  0  0  0  0
   -1.3380    2.3143    0.3711 H   0  0  0  0  0
    1.1071   -1.8883   -0.2217 H   0  0  0  0  0
    3.4076    6.5995   -0.8587 H   0  0  0  0  0
    7.5967    6.3233   -1.6386 H   0  0  0  0  0
    5.3096    2.7184   -0.9873 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 22  1  0  0  0
  2  3  1  0  0  0
  2 23  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 24  1  0  0  0
  6  7  1  0  0  0
  8 12  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 13  1  0  0  0
 13 18  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 25  1  0  0  0
 15 16  2  0  0  0
 15 21  1  0  0  0
 16 17  1  0  0  0
 16 26  1  0  0  0
 17 18  2  0  0  0
 17 19  1  0  0  0
 18 27  1  0  0  0
 19 20  3  0  0  0
M  END

>  <Chemical Name>
AZD-9272

>  <PubChem CID>
9838729

>  <Formula>
C14H6F2N4O

>  <Molecular Weight>
284.226000

>  <IUPAC Name>
3-fluoro-5-[3-(5-fluoropyridin-2-yl)-1,2,4-oxadiazol-5-yl]benzonitrile

>  <XlogP>
2.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1=CC(=NC=C1F)C2=NOC(=N2)C3=CC(=CC(=C3)C#N)F

>  <Isomeric SMILES>
C1=CC(=NC=C1F)C2=NOC(=N2)C3=CC(=CC(=C3)C#N)F

>  <InChI Std. ID>
InChI=1S/C14H6F2N4O/c15-10-1-2-12(18-7-10)13-19-14(21-20-13)9-3-8(6-17)4-11(16)5-9/h1-5,7H

>  <InChI Key>
RBSPCALDSNXWEP-UHFFFAOYSA-N

