
 CHEMBL304247

 37 41  0  0  0  0  0  0  0  0999 V2000
    2.3421   -0.2744   -0.0153 C   0  0  0  0  0
    1.1665   -1.1344   -0.3609 C   0  0  0  0  0
    1.5109   -1.8839   -1.5773 C   0  0  0  0  0
    0.6441   -0.6711   -1.6818 C   0  0  0  0  0
    1.5330    0.4543   -2.1231 C   0  0  0  0  0
    2.7981   -0.0621   -1.4478 N   0  0  0  0  0
    2.8973   -1.4828   -1.9738 C   0  0  0  0  0
   -0.8276   -0.7970   -2.0197 C   0  0  0  0  0
   -1.5499   -1.8504   -1.6180 N   0  0  0  0  0
   -3.0862   -1.5727   -2.2169 S   0  0  0  0  0
   -2.8476   -0.1060   -2.9888 N   0  0  0  0  0
   -1.5598    0.1771   -2.7789 C   0  0  0  0  0
   -1.0321    1.3268   -3.2695 O   0  0  0  0  0
   -1.9565    2.1597   -3.9667 C   0  0  0  0  0
   -1.2717    3.4013   -4.3495 C   0  0  0  0  0
   -0.7285    4.4306   -4.6526 C   0  0  0  0  0
   -0.1023    5.6667   -5.0035 C   0  0  0  0  0
    1.2212    5.6840   -5.4432 C   0  0  0  0  0
    1.8109    6.8978   -5.7797 C   0  0  0  0  0
    1.1051    8.0931   -5.6849 C   0  0  0  0  0
   -0.2173    8.0772   -5.2446 C   0  0  0  0  0
   -0.8206    6.8637   -4.9039 C   0  0  0  0  0
    3.0815    6.9175   -6.2036 F   0  0  0  0  0
    2.0652    0.6703    0.4633 H   0  0  0  0  0
    3.1028   -0.7926    0.5769 H   0  0  0  0  0
    0.5480   -1.5288    0.4211 H   0  0  0  0  0
    1.1703   -2.8819   -1.7713 H   0  0  0  0  0
    1.6673    0.5131   -3.2084 H   0  0  0  0  0
    1.2483    1.4313   -1.7187 H   0  0  0  0  0
    3.6792   -2.0493   -1.4581 H   0  0  0  0  0
    3.0638   -1.5019   -3.0553 H   0  0  0  0  0
   -2.8084    2.4156   -3.3241 H   0  0  0  0  0
   -2.3150    1.6513   -4.8701 H   0  0  0  0  0
    1.7995    4.7693   -5.5270 H   0  0  0  0  0
    1.5899    9.0262   -5.9539 H   0  0  0  0  0
   -0.7777    9.0052   -5.1660 H   0  0  0  0  0
   -1.8528    6.8570   -4.5602 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  3  4  1  0  0  0
  3  7  1  0  0  0
  3 27  1  0  0  0
  4  5  1  0  0  0
  4  8  1  0  0  0
  5  6  1  0  0  0
  5 28  1  0  0  0
  5 29  1  0  0  0
  6  7  1  0  0  0
  7 30  1  0  0  0
  7 31  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
 12 13  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 14 32  1  0  0  0
 14 33  1  0  0  0
 15 16  3  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 34  1  0  0  0
 19 20  2  0  0  0
 19 23  1  0  0  0
 20 21  1  0  0  0
 20 35  1  0  0  0
 21 22  2  0  0  0
 21 36  1  0  0  0
 22 37  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL304247

>  <PubChem CID>
10019339

>  <Formula>
C17H14FN3OS

>  <Molecular Weight>
327.377000

>  <IUPAC Name>


>  <XlogP>
2.600

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1C2C3C2(CN1C3)C4=NSN=C4OCC#CC5=CC(=CC=C5)F

>  <Isomeric SMILES>
C1C2C3C2(CN1C3)C4=NSN=C4OCC#CC5=CC(=CC=C5)F

>  <InChI Std. ID>
InChI=1S/C17H14FN3OS/c18-12-5-1-3-11(7-12)4-2-6-22-16-15(19-23-20-16)17-10-21-8-13(17)14(17)9-21/h1,3,5,7,13-14H,6,8-10H2

>  <InChI Key>
CCIIKCAPSDBABC-UHFFFAOYSA-N

