
 CHEMBL1079732

 49 53  0  0  0  0  0  0  0  0999 V2000
    1.5548    0.5490   -0.4577 C   0  0  0  0  0
    2.9225    0.6475    0.1156 C   0  0  0  0  0
    3.8290   -0.3762    0.2599 C   0  0  0  0  0
    5.0204    0.1511    0.7077 N   0  0  0  0  0
    4.8283    1.4702    1.1082 C   0  0  0  0  0
    5.6268    2.4316    1.7849 C   0  0  0  0  0
    5.1739    3.7629    1.8176 C   0  0  0  0  0
    3.9558    4.1150    1.2699 C   0  0  0  0  0
    3.1257    3.1655    0.6935 C   0  0  0  0  0
    3.5557    1.8249    0.6145 C   0  0  0  0  0
    3.5567    5.3928    1.3220 F   0  0  0  0  0
    6.8796    2.1161    2.4421 C   0  0  0  0  0
    7.9386    2.8745    2.6160 N   0  0  0  0  0
    8.8004    2.0290    3.2431 C   0  0  0  0  0
    8.2896    0.8398    3.5720 N   0  0  0  0  0
    6.9888    0.9048    3.0661 O   0  0  0  0  0
   10.0673    2.4697    3.5760 N   0  0  0  0  0
   11.2808    1.8849    2.5626 S   0  0  0  0  0
   11.2726    0.4413    2.5291 O   0  0  0  0  0
   11.2517    2.6843    1.3554 O   0  0  0  0  0
   12.8675    2.2848    3.2635 C   0  0  0  0  0
   14.1440    2.1846    2.7370 C   0  0  0  0  0
   15.1416    2.6360    3.6471 C   0  0  0  0  0
   14.5809    3.0551    4.8271 C   0  0  0  0  0
   12.8921    2.9094    4.8547 S   0  0  0  0  0
   15.3801    3.6880    6.2124 Cl  0  0  0  0  0
   16.8035    2.6328    3.2491 Cl  0  0  0  0  0
    6.2788   -0.5965    0.6371 C   0  0  0  0  0
    6.5544   -1.1512   -0.7455 C   0  0  0  0  0
    6.9041   -0.3258   -1.8304 C   0  0  0  0  0
    7.1366   -0.8691   -3.0959 C   0  0  0  0  0
    7.0340   -2.2431   -3.2863 C   0  0  0  0  0
    6.7052   -3.0809   -2.2241 C   0  0  0  0  0
    6.4658   -2.5389   -0.9594 C   0  0  0  0  0
    7.3218   -2.9126   -4.8444 Cl  0  0  0  0  0
    7.0897    1.3838   -1.6576 Cl  0  0  0  0  0
    1.3290   -0.4734   -0.7771 H   0  0  0  0  0
    1.4589    1.2043   -1.3296 H   0  0  0  0  0
    0.8067    0.8466    0.2839 H   0  0  0  0  0
    3.7479   -1.4221   -0.0090 H   0  0  0  0  0
    5.7752    4.5394    2.2855 H   0  0  0  0  0
    2.1607    3.4673    0.2992 H   0  0  0  0  0
   10.0820    3.4854    3.4976 H   0  0  0  0  0
   14.3368    1.8079    1.7387 H   0  0  0  0  0
    6.2090   -1.3905    1.3900 H   0  0  0  0  0
    7.1163    0.0460    0.9010 H   0  0  0  0  0
    7.4011   -0.2219   -3.9279 H   0  0  0  0  0
    6.6334   -4.1556   -2.3738 H   0  0  0  0  0
    6.2081   -3.2100   -0.1414 H   0  0  0  0  0
  1  2  1  0  0  0
  1 37  1  0  0  0
  1 38  1  0  0  0
  1 39  1  0  0  0
  2  3  2  0  0  0
  2 10  1  0  0  0
  3  4  1  0  0  0
  3 40  1  0  0  0
  4  5  1  0  0  0
  4 28  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 12  1  0  0  0
  7  8  2  0  0  0
  7 41  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  2  0  0  0
  9 42  1  0  0  0
 12 16  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 14 15  2  0  0  0
 14 17  1  0  0  0
 15 16  1  0  0  0
 17 18  1  0  0  0
 17 43  1  0  0  0
 18 21  1  0  0  0
 18 20  2  0  0  0
 18 19  2  0  0  0
 21 22  2  0  0  0
 21 25  1  0  0  0
 22 23  1  0  0  0
 22 44  1  0  0  0
 23 24  2  0  0  0
 23 27  1  0  0  0
 24 25  1  0  0  0
 24 26  1  0  0  0
 28 29  1  0  0  0
 28 45  1  0  0  0
 28 46  1  0  0  0
 29 30  2  0  0  0
 29 34  1  0  0  0
 30 31  1  0  0  0
 30 36  1  0  0  0
 31 32  2  0  0  0
 31 47  1  0  0  0
 32 33  1  0  0  0
 32 35  1  0  0  0
 33 34  2  0  0  0
 33 48  1  0  0  0
 34 49  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1079732

>  <PubChem CID>
46879719

>  <Formula>
C22H13Cl4FN4O3S2

>  <Molecular Weight>
606.289000

>  <IUPAC Name>
4,5-dichloro-N-[5-[1-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide

>  <XlogP>
7.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC1=CN(C2=C(C=C(C=C12)F)C3=NC(=NO3)NS(=O)(=O)C4=CC(=C(S4)Cl)Cl)CC5=C(C=C(C=C5)Cl)Cl

>  <Isomeric SMILES>
CC1=CN(C2=C(C=C(C=C12)F)C3=NC(=NO3)NS(=O)(=O)C4=CC(=C(S4)Cl)Cl)CC5=C(C=C(C=C5)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C22H13Cl4FN4O3S2/c1-10-8-31(9-11-2-3-12(23)4-16(11)24)19-14(10)5-13(27)6-15(19)21-28-22(29-34-21)30-36(32,33)18-7-17(25)20(26)35-18/h2-8H,9H2,1H3,(H,29,30)

>  <InChI Key>
FKSFUQRGCQKPTK-UHFFFAOYSA-N

