
 CHEMBL325897

 41 44  0  0  0  0  0  0  0  0999 V2000
   -2.5156    0.6197   -0.0151 C   0  0  0  0  0
   -2.4905   -0.8193    0.4839 C   0  0  0  0  0
   -1.2891   -1.5954   -0.0775 C   0  0  0  0  0
    0.0149   -0.8216    0.0548 C   0  0  0  0  0
    0.0350    0.5850    0.1706 C   0  0  0  0  0
   -1.2471    1.3602    0.3977 C   0  0  0  0  0
    1.2799    1.2413    0.1987 C   0  0  0  0  0
    2.4750    0.5171    0.1550 C   0  0  0  0  0
    2.4490   -0.8692    0.0554 C   0  0  0  0  0
    1.2276   -1.5324   -0.0096 C   0  0  0  0  0
    1.3484    2.6676    0.1644 N   0  0  0  0  0
    1.3551    3.3800   -1.3832 S   0  0  0  0  0
    0.2490    2.8588   -2.1582 O   0  0  0  0  0
    1.5176    4.7993   -1.1565 O   0  0  0  0  0
    2.8536    2.7859   -2.2364 C   0  0  0  0  0
    3.6842    3.8489   -2.9024 C   0  0  0  0  0
    4.1490    3.2323   -1.6114 C   0  0  0  0  0
   -1.5364   -2.0337   -1.4940 C   0  0  0  0  0
   -2.0599   -3.2002   -2.0114 C   0  0  0  0  0
   -2.0875   -3.1632   -3.3813 N   0  0  0  0  0
   -1.5946   -1.9910   -3.7064 C   0  0  0  0  0
   -1.2472   -1.2688   -2.6017 N   0  0  0  0  0
   -3.3892    1.1396    0.3948 H   0  0  0  0  0
   -2.6246    0.6436   -1.1052 H   0  0  0  0  0
   -3.4330   -1.3186    0.2267 H   0  0  0  0  0
   -2.4308   -0.8075    1.5806 H   0  0  0  0  0
   -1.1941   -2.5038    0.5355 H   0  0  0  0  0
   -1.3047    1.5848    1.4709 H   0  0  0  0  0
   -1.2349    2.3190   -0.1276 H   0  0  0  0  0
    3.4353    1.0214    0.1910 H   0  0  0  0  0
    3.3771   -1.4342    0.0124 H   0  0  0  0  0
    1.2183   -2.6170   -0.1155 H   0  0  0  0  0
    2.0749    3.0852    0.7444 H   0  0  0  0  0
    2.7908    1.8130   -2.6987 H   0  0  0  0  0
    3.3546    4.8826   -2.8835 H   0  0  0  0  0
    4.2100    3.5817   -3.8125 H   0  0  0  0  0
    4.9898    2.5498   -1.6532 H   0  0  0  0  0
    4.1332    3.8602   -0.7275 H   0  0  0  0  0
   -2.4170   -4.0663   -1.4689 H   0  0  0  0  0
   -1.4655   -1.6124   -4.7112 H   0  0  0  0  0
   -0.8455   -0.3390   -2.6004 H   0  0  0  0  0
  1  2  1  0  0  0
  1  6  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  2 25  1  0  0  0
  2 26  1  0  0  0
  3  4  1  0  0  0
  3 18  1  0  0  0
  3 27  1  0  0  0
  4 10  1  0  0  0
  4  5  2  0  0  0
  5  7  1  0  0  0
  5  6  1  0  0  0
  6 28  1  0  0  0
  6 29  1  0  0  0
  7  8  2  0  0  0
  7 11  1  0  0  0
  8  9  1  0  0  0
  8 30  1  0  0  0
  9 10  2  0  0  0
  9 31  1  0  0  0
 10 32  1  0  0  0
 11 12  1  0  0  0
 11 33  1  0  0  0
 12 15  1  0  0  0
 12 14  2  0  0  0
 12 13  2  0  0  0
 15 17  1  0  0  0
 15 16  1  0  0  0
 15 34  1  0  0  0
 16 17  1  0  0  0
 16 35  1  0  0  0
 16 36  1  0  0  0
 17 37  1  0  0  0
 17 38  1  0  0  0
 18 19  2  0  0  0
 18 22  1  0  0  0
 19 20  1  0  0  0
 19 39  1  0  0  0
 20 21  2  0  0  0
 21 22  1  0  0  0
 21 40  1  0  0  0
 22 41  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL325897

>  <PubChem CID>
10267873

>  <Formula>
C16H19N3O2S

>  <Molecular Weight>
317.407000

>  <IUPAC Name>
N-[5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]cyclopropanesulfonamide

>  <XlogP>
2.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CC(C2=C(C1)C(=CC=C2)NS(=O)(=O)C3CC3)C4=CN=CN4

>  <Isomeric SMILES>
C1CC(C2=C(C1)C(=CC=C2)NS(=O)(=O)C3CC3)C4=CN=CN4

>  <InChI Std. ID>
InChI=1S/C16H19N3O2S/c20-22(21,11-7-8-11)19-15-6-2-3-12-13(15)4-1-5-14(12)16-9-17-10-18-16/h2-3,6,9-11,14,19H,1,4-5,7-8H2,(H,17,18)

>  <InChI Key>
UVQRVHVFXJDEEN-UHFFFAOYSA-N

