
 CHEMBL3314838

 30 32  0  0  0  0  0  0  0  0999 V2000
    0.9557    0.3009   -0.3267 C   0  0  0  0  0
    0.7033    1.4514   -1.0670 C   0  0  0  0  0
   -0.2657    1.3989   -2.0665 C   0  0  0  0  0
   -0.9984    0.2930   -2.3522 N   0  0  0  0  0
   -0.7412   -0.8030   -1.5988 C   0  0  0  0  0
    0.2113   -0.8380   -0.5936 C   0  0  0  0  0
    0.4273   -1.9629    0.0997 F   0  0  0  0  0
    1.5045    2.5418   -0.8505 O   0  0  0  0  0
    0.8875    3.7512   -0.5663 C   0  0  0  0  0
   -0.4323    3.8014   -0.2622 N   0  0  0  0  0
   -0.9329    5.0117    0.0464 C   0  0  0  0  0
   -0.1173    6.1457    0.0256 C   0  0  0  0  0
    1.2064    6.1094   -0.2670 N   0  0  0  0  0
    1.6915    4.8805   -0.5565 C   0  0  0  0  0
   -2.2864    5.1736    0.3545 N   0  0  0  0  0
   -3.2805    4.2343    0.5066 C   0  0  0  0  0
   -4.4354    4.6670    0.4115 O   0  0  0  0  0
   -2.9873    2.8600    0.8509 C   0  0  0  0  0
   -2.0068    2.3136    1.6592 C   0  0  0  0  0
   -2.0538    0.9427    1.8385 N   0  0  0  0  0
   -3.0813    0.4635    1.1740 C   0  0  0  0  0
   -4.0335    1.6028    0.3200 S   0  0  0  0  0
    1.7124    0.2845    0.4486 H   0  0  0  0  0
   -0.4784    2.2593   -2.6937 H   0  0  0  0  0
   -1.3295   -1.6843   -1.8314 H   0  0  0  0  0
   -0.5033    7.1322    0.2611 H   0  0  0  0  0
    2.7512    4.8257   -0.7795 H   0  0  0  0  0
   -2.6606    6.1120    0.3210 H   0  0  0  0  0
   -1.2256    2.8727    2.1584 H   0  0  0  0  0
   -3.3253   -0.5908    1.1699 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  8  1  0  0  0
  3  4  2  0  0  0
  3 24  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
  8  9  1  0  0  0
  9 14  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 15  1  0  0  0
 12 13  1  0  0  0
 12 26  1  0  0  0
 13 14  2  0  0  0
 14 27  1  0  0  0
 15 16  1  0  0  0
 15 28  1  0  0  0
 16 18  1  0  0  0
 16 17  2  0  0  0
 18 19  2  0  0  0
 18 22  1  0  0  0
 19 20  1  0  0  0
 19 29  1  0  0  0
 20 21  2  0  0  0
 21 22  1  0  0  0
 21 30  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3314838

>  <PubChem CID>
118707815

>  <Formula>
C13H8FN5O2S

>  <Molecular Weight>
317.298000

>  <IUPAC Name>
N-[6-(5-fluoropyridin-3-yl)oxypyrazin-2-yl]-1,3-thiazole-5-carboxamide

>  <XlogP>
1.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
C1=C(C=NC=C1F)OC2=NC(=CN=C2)NC(=O)C3=CN=CS3

>  <Isomeric SMILES>
C1=C(C=NC=C1F)OC2=NC(=CN=C2)NC(=O)C3=CN=CS3

>  <InChI Std. ID>
InChI=1S/C13H8FN5O2S/c14-8-1-9(3-15-2-8)21-12-6-16-5-11(18-12)19-13(20)10-4-17-7-22-10/h1-7H,(H,18,19,20)

>  <InChI Key>
AWRBSUZAJIZVHZ-UHFFFAOYSA-N

