
 CHEMBL609297

 41 42  0  0  0  0  0  0  0  0999 V2000
    1.5669   -0.7650    0.8165 C   0  0  0  0  0
    2.5890   -0.0939   -0.0061 N   0  0  0  0  0
    2.2121   -0.0455   -1.4337 C   0  0  0  0  0
    2.0844   -1.4505   -2.0689 C   0  0  0  0  0
    3.2689   -2.3051   -1.6987 C   0  0  0  0  0
    4.1282   -1.9068   -0.6706 C   0  0  0  0  0
    3.9362   -0.6874    0.1841 C   0  0  0  0  0
    5.3263   -3.0328   -0.5441 S   0  0  0  0  0
    4.8229   -4.0876   -1.7193 C   0  0  0  0  0
    3.6257   -3.5724   -2.2862 C   0  0  0  0  0
    2.8237   -4.2261   -3.3695 C   0  0  0  0  0
    2.1270   -3.5347   -4.0972 O   0  0  0  0  0
    2.8170   -5.5812   -3.5241 N   0  0  0  0  0
    2.1326   -6.1845   -4.5649 N   0  0  0  0  0
    2.0811   -7.6055   -4.7369 C   0  0  0  0  0
    1.6033   -8.1230   -5.9545 C   0  0  0  0  0
    1.5509   -9.5031   -6.1708 C   0  0  0  0  0
    1.9635  -10.3850   -5.1716 C   0  0  0  0  0
    2.4282   -9.8896   -3.9529 C   0  0  0  0  0
    2.4916   -8.5105   -3.7298 C   0  0  0  0  0
    5.5664   -5.2309   -2.1052 N   0  0  0  0  0
    1.1163    3.0212    0.5402 Cl  0  0  0  0  0
    0.5691   -0.3096    0.6400 H   0  0  0  0  0
    1.8047   -0.6331    1.8934 H   0  0  0  0  0
    1.5161   -1.8543    0.6022 H   0  0  0  0  0
    3.0100    0.5132   -1.9735 H   0  0  0  0  0
    1.2698    0.5256   -1.5794 H   0  0  0  0  0
    2.0347   -1.2835   -3.1644 H   0  0  0  0  0
    1.1599   -1.9731   -1.7449 H   0  0  0  0  0
    4.0742   -0.9622    1.2531 H   0  0  0  0  0
    4.7262    0.0511   -0.0685 H   0  0  0  0  0
    3.3140   -6.1542   -2.8403 H   0  0  0  0  0
    1.7039   -5.5948   -5.2954 H   0  0  0  0  0
    1.2824   -7.4527   -6.7421 H   0  0  0  0  0
    1.1911   -9.8886   -7.1159 H   0  0  0  0  0
    1.9211  -11.4532   -5.3404 H   0  0  0  0  0
    2.7411  -10.5761   -3.1765 H   0  0  0  0  0
    2.8490   -8.1779   -2.7698 H   0  0  0  0  0
    5.3502   -5.7583   -2.9589 H   0  0  0  0  0
    6.4304   -5.4677   -1.5972 H   0  0  0  0  0
    2.3957    3.0568    1.0445 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 26  1  0  0  0
  3 27  1  0  0  0
  4  5  1  0  0  0
  4 28  1  0  0  0
  4 29  1  0  0  0
  5 10  1  0  0  0
  5  6  2  0  0  0
  6  8  1  0  0  0
  6  7  1  0  0  0
  7 30  1  0  0  0
  7 31  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 21  1  0  0  0
 10 11  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 14  1  0  0  0
 13 32  1  0  0  0
 14 15  1  0  0  0
 14 33  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 34  1  0  0  0
 17 18  2  0  0  0
 17 35  1  0  0  0
 18 19  1  0  0  0
 18 36  1  0  0  0
 19 20  2  0  0  0
 19 37  1  0  0  0
 20 38  1  0  0  0
 21 39  1  0  0  0
 21 40  1  0  0  0
 22 41  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL609297

>  <PubChem CID>
46227349

>  <Formula>
C15H19ClN4OS

>  <Molecular Weight>
338.854000

>  <IUPAC Name>
2-amino-6-methyl-N'-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbohydrazide;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN1CCC2=C(C1)SC(=C2C(=O)NNC3=CC=CC=C3)N.Cl

>  <Isomeric SMILES>
CN1CCC2=C(C1)SC(=C2C(=O)NNC3=CC=CC=C3)N.Cl

>  <InChI Std. ID>
InChI=1S/C15H18N4OS.ClH/c1-19-8-7-11-12(9-19)21-14(16)13(11)15(20)18-17-10-5-3-2-4-6-10;/h2-6,17H,7-9,16H2,1H3,(H,18,20);1H

>  <InChI Key>
ABRBJQDNPRYABU-UHFFFAOYSA-N

