
 GNF-Pf-3343

 55 57  0  0  0  0  0  0  0  0999 V2000
    4.6471    8.9995    2.2678 C   0  0  0  0  0
    4.8210    7.4872    2.2458 C   0  0  0  0  0
    6.2601    7.0856    1.8776 C   0  0  0  0  0
    6.5434    5.6358    1.7909 N   0  0  0  0  0
    6.2625    4.9672    3.0759 C   0  0  0  0  0
    6.7721    3.5239    3.2106 C   0  0  0  0  0
    8.2562    3.3667    2.9216 C   0  0  0  0  0
    5.8612    4.9764    0.6551 C   0  0  0  0  0
    6.3980    5.3914   -0.7296 C   0  0  0  0  0
    7.8008    5.0644   -0.9113 N   0  0  0  0  0
    8.2146    3.8117   -1.3144 C   0  0  0  0  0
    7.4054    2.9263   -1.5880 O   0  0  0  0  0
    9.6556    3.6111   -1.4264 C   0  0  0  0  0
   10.2998    2.4479   -1.8629 C   0  0  0  0  0
   11.6735    2.6711   -1.9260 C   0  0  0  0  0
   12.0533    3.8872   -1.5153 C   0  0  0  0  0
   10.8035    4.8740   -1.0501 S   0  0  0  0  0
   13.3971    3.9186   -1.6320 N   0  0  0  0  0
   13.8981    2.7458   -2.1079 N   0  0  0  0  0
   12.8131    1.9548   -2.3134 C   0  0  0  0  0
   12.9619    0.6052   -2.8647 C   0  0  0  0  0
   14.1548   -0.1090   -2.6592 C   0  0  0  0  0
   14.3238   -1.3948   -3.1838 C   0  0  0  0  0
   13.2991   -1.9776   -3.9231 C   0  0  0  0  0
   12.1137   -1.2824   -4.1490 C   0  0  0  0  0
   11.9487    0.0060   -3.6267 C   0  0  0  0  0
   13.5007   -3.5589   -4.5698 Cl  0  0  0  0  0
   14.2815    5.0178   -1.3414 C   0  0  0  0  0
    3.6453    9.2577    2.6271 H   0  0  0  0  0
    4.7658    9.4215    1.2652 H   0  0  0  0  0
    5.3769    9.4726    2.9324 H   0  0  0  0  0
    4.1028    7.0679    1.5339 H   0  0  0  0  0
    4.5605    7.1036    3.2382 H   0  0  0  0  0
    6.9416    7.5166    2.6236 H   0  0  0  0  0
    6.5440    7.5751    0.9392 H   0  0  0  0  0
    5.1850    4.9602    3.2801 H   0  0  0  0  0
    6.7343    5.5455    3.8817 H   0  0  0  0  0
    6.1991    2.8474    2.5676 H   0  0  0  0  0
    6.5809    3.1921    4.2389 H   0  0  0  0  0
    8.4884    3.5992    1.8786 H   0  0  0  0  0
    8.5643    2.3327    3.1083 H   0  0  0  0  0
    8.8535    4.0199    3.5650 H   0  0  0  0  0
    4.7798    5.1465    0.6928 H   0  0  0  0  0
    5.9997    3.8925    0.7187 H   0  0  0  0  0
    6.2879    6.4652   -0.9048 H   0  0  0  0  0
    5.8172    4.8780   -1.5044 H   0  0  0  0  0
    8.4904    5.6826   -0.5044 H   0  0  0  0  0
    9.7644    1.5449   -2.1292 H   0  0  0  0  0
   14.9663    0.3391   -2.0878 H   0  0  0  0  0
   15.2554   -1.9273   -3.0136 H   0  0  0  0  0
   11.3169   -1.7306   -4.7368 H   0  0  0  0  0
   11.0268    0.5360   -3.8485 H   0  0  0  0  0
   15.3188    4.6772   -1.3983 H   0  0  0  0  0
   14.0681    5.3820   -0.3336 H   0  0  0  0  0
   14.1058    5.8037   -2.0800 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  3  1  0  0  0
  2 32  1  0  0  0
  2 33  1  0  0  0
  3  4  1  0  0  0
  3 34  1  0  0  0
  3 35  1  0  0  0
  4  8  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 36  1  0  0  0
  5 37  1  0  0  0
  6  7  1  0  0  0
  6 38  1  0  0  0
  6 39  1  0  0  0
  7 40  1  0  0  0
  7 41  1  0  0  0
  7 42  1  0  0  0
  8  9  1  0  0  0
  8 43  1  0  0  0
  8 44  1  0  0  0
  9 10  1  0  0  0
  9 45  1  0  0  0
  9 46  1  0  0  0
 10 11  1  0  0  0
 10 47  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 17  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 48  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 18  1  0  0  0
 16 17  1  0  0  0
 18 19  1  0  0  0
 18 28  1  0  0  0
 19 20  2  0  0  0
 20 21  1  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 22 49  1  0  0  0
 23 24  2  0  0  0
 23 50  1  0  0  0
 24 25  1  0  0  0
 24 27  1  0  0  0
 25 26  2  0  0  0
 25 51  1  0  0  0
 26 52  1  0  0  0
 28 53  1  0  0  0
 28 54  1  0  0  0
 28 55  1  0  0  0
M  END

>  <Chemical Name>
GNF-Pf-3343

>  <PubChem CID>
16007420

>  <Formula>
C21H27ClN4OS

>  <Molecular Weight>
418.984000

>  <IUPAC Name>
3-(4-chlorophenyl)-N-[2-(dipropylamino)ethyl]-1-methylthieno[2,3-c]pyrazole-5-carboxamide

>  <XlogP>
5.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCCN(CCC)CCNC(=O)C1=CC2=C(S1)N(N=C2C3=CC=C(C=C3)Cl)C

>  <Isomeric SMILES>
CCCN(CCC)CCNC(=O)C1=CC2=C(S1)N(N=C2C3=CC=C(C=C3)Cl)C

>  <InChI Std. ID>
InChI=1S/C21H27ClN4OS/c1-4-11-26(12-5-2)13-10-23-20(27)18-14-17-19(24-25(3)21(17)28-18)15-6-8-16(22)9-7-15/h6-9,14H,4-5,10-13H2,1-3H3,(H,23,27)

>  <InChI Key>
HGWOFUAZIPRWPO-UHFFFAOYSA-N

