
 CHEMBL2440659

 34 36  0  0  0  0  0  0  0  0999 V2000
   -0.7292   -3.1985   -1.3473 C   0  0  0  0  0
    0.7050   -2.8652   -1.5375 C   0  0  0  0  0
    1.2206   -1.9135   -2.3956 C   0  0  0  0  0
    2.9264   -1.8870   -2.2759 S   0  0  0  0  0
    2.8597   -3.1178   -1.1012 C   0  0  0  0  0
    1.6578   -3.5539   -0.7986 N   0  0  0  0  0
    3.9767   -3.6579   -0.5102 N   0  0  0  0  0
    5.2795   -3.2598   -0.7062 C   0  0  0  0  0
    5.6703   -2.3142   -1.3786 O   0  0  0  0  0
    6.3189   -4.0592    0.0073 C   0  0  0  0  0
    7.5407   -3.4314    0.3147 C   0  0  0  0  0
    8.5587   -4.1430    0.9559 C   0  0  0  0  0
    8.3784   -5.4935    1.2479 C   0  0  0  0  0
    7.1768   -6.1118    0.9233 C   0  0  0  0  0
    6.1428   -5.4131    0.3088 C   0  0  0  0  0
    7.0181   -7.4151    1.1869 F   0  0  0  0  0
    9.8061   -3.6319    1.2269 O   0  0  0  0  0
    9.9371   -2.3412    1.6481 C   0  0  0  0  0
    9.0932   -1.6680    2.5057 C   0  0  0  0  0
    9.3081   -0.4026    2.9301 N   0  0  0  0  0
   10.4319    0.1808    2.4818 C   0  0  0  0  0
   11.3419   -0.3818    1.6718 N   0  0  0  0  0
   11.0686   -1.6444    1.2782 C   0  0  0  0  0
   -1.3589   -2.6784   -2.0766 H   0  0  0  0  0
   -1.0556   -2.9071   -0.3444 H   0  0  0  0  0
   -0.8891   -4.2743   -1.4670 H   0  0  0  0  0
    0.6941   -1.2532   -3.0695 H   0  0  0  0  0
    3.7442   -4.3768    0.1581 H   0  0  0  0  0
    7.6917   -2.3927    0.0238 H   0  0  0  0  0
    9.1732   -6.0742    1.7065 H   0  0  0  0  0
    5.2452   -5.9587    0.0381 H   0  0  0  0  0
    8.1957   -2.1285    2.9058 H   0  0  0  0  0
   10.6252    1.1970    2.8083 H   0  0  0  0  0
   11.8175   -2.0974    0.6347 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  3  2  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  3 27  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  7  8  1  0  0  0
  7 28  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 15  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 11 29  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 30  1  0  0  0
 14 15  2  0  0  0
 14 16  1  0  0  0
 15 31  1  0  0  0
 17 18  1  0  0  0
 18 23  1  0  0  0
 18 19  2  0  0  0
 19 20  1  0  0  0
 19 32  1  0  0  0
 20 21  2  0  0  0
 21 22  1  0  0  0
 21 33  1  0  0  0
 22 23  2  0  0  0
 23 34  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2440659

>  <PubChem CID>
50990953

>  <Formula>
C15H11FN4O2S

>  <Molecular Weight>
330.337000

>  <IUPAC Name>
3-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-5-pyrimidin-5-yloxybenzamide

>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=CSC(=N1)NC(=O)C2=CC(=CC(=C2)F)OC3=CN=CN=C3

>  <Isomeric SMILES>
CC1=CSC(=N1)NC(=O)C2=CC(=CC(=C2)F)OC3=CN=CN=C3

>  <InChI Std. ID>
InChI=1S/C15H11FN4O2S/c1-9-7-23-15(19-9)20-14(21)10-2-11(16)4-12(3-10)22-13-5-17-8-18-6-13/h2-8H,1H3,(H,19,20,21)

>  <InChI Key>
AXVLPJHYYFHCHK-UHFFFAOYSA-N

