
 CHEMBL2179682

 54 55  0  0  0  0  0  0  0  0999 V2000
    1.2863    3.9304    1.7678 C   0  0  0  0  0
    2.2055    3.6992    0.5716 C   0  0  0  0  0
    3.5028    3.0053    1.0038 C   0  0  0  0  0
    4.4331    2.7256   -0.1890 C   0  0  0  0  0
    4.8351    3.9462   -0.9288 N   0  0  0  0  0
    5.5099    3.5424   -2.1851 C   0  0  0  0  0
    5.9310    4.7676   -3.0079 C   0  0  0  0  0
    6.8728    5.6859   -2.2019 C   0  0  0  0  0
    6.1414    6.0690   -0.9027 C   0  0  0  0  0
    5.7085    4.8230   -0.1096 C   0  0  0  0  0
    8.2628    5.0581   -1.9097 C   0  0  0  0  0
    8.9978    4.7568   -3.1269 N   0  0  0  0  0
   10.2326    4.1828   -3.0823 C   0  0  0  0  0
   10.7510    3.9269   -2.0048 O   0  0  0  0  0
   10.9459    3.8484   -4.3360 C   0  0  0  0  0
   10.4430    4.0778   -5.5744 N   0  0  0  0  0
   11.3261    3.6457   -6.4678 N   0  0  0  0  0
   12.3924    3.1406   -5.8201 C   0  0  0  0  0
   13.5507    2.5753   -6.3529 C   0  0  0  0  0
   14.5281    2.1116   -5.4527 C   0  0  0  0  0
   14.3239    2.2237   -4.0573 C   0  0  0  0  0
   13.1413    2.7996   -3.5543 C   0  0  0  0  0
   12.1908    3.2505   -4.4727 C   0  0  0  0  0
   11.1296    3.7207   -7.9100 C   0  0  0  0  0
    0.0541   -2.4015   -2.7376 Cl  0  0  0  0  0
    0.3525    4.4271    1.4307 H   0  0  0  0  0
    1.7856    4.5811    2.5171 H   0  0  0  0  0
    1.0219    2.9623    2.2448 H   0  0  0  0  0
    2.4384    4.6804    0.1045 H   0  0  0  0  0
    1.6743    3.0661   -0.1722 H   0  0  0  0  0
    3.2507    2.0302    1.4755 H   0  0  0  0  0
    4.0223    3.6127    1.7725 H   0  0  0  0  0
    3.8793    2.0417   -0.8717 H   0  0  0  0  0
    5.3330    2.1776    0.1718 H   0  0  0  0  0
    4.8094    2.9471   -2.8117 H   0  0  0  0  0
    6.3922    2.9004   -1.9712 H   0  0  0  0  0
    6.3965    4.4435   -3.9611 H   0  0  0  0  0
    5.0126    5.3388   -3.2697 H   0  0  0  0  0
    7.0575    6.6140   -2.7873 H   0  0  0  0  0
    6.7827    6.7248   -0.2745 H   0  0  0  0  0
    5.2256    6.6448   -1.1643 H   0  0  0  0  0
    6.5958    4.2630    0.2556 H   0  0  0  0  0
    5.1584    5.1952    0.7778 H   0  0  0  0  0
    8.1598    4.1260   -1.3203 H   0  0  0  0  0
    8.8579    5.7781   -1.3058 H   0  0  0  0  0
    8.5771    4.9719   -4.0425 H   0  0  0  0  0
   13.6972    2.4927   -7.4217 H   0  0  0  0  0
   15.4395    1.6665   -5.8298 H   0  0  0  0  0
   15.0806    1.8639   -3.3723 H   0  0  0  0  0
   12.9855    2.8840   -2.4881 H   0  0  0  0  0
   10.1485    4.1878   -8.1399 H   0  0  0  0  0
   11.1505    2.6988   -8.3438 H   0  0  0  0  0
   11.9353    4.3323   -8.3670 H   0  0  0  0  0
    0.0899   -1.1402   -3.2856 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  2 30  1  0  0  0
  3  4  1  0  0  0
  3 31  1  0  0  0
  3 32  1  0  0  0
  4  5  1  0  0  0
  4 33  1  0  0  0
  4 34  1  0  0  0
  5 10  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  6 35  1  0  0  0
  6 36  1  0  0  0
  7  8  1  0  0  0
  7 37  1  0  0  0
  7 38  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  8 39  1  0  0  0
  9 10  1  0  0  0
  9 40  1  0  0  0
  9 41  1  0  0  0
 10 42  1  0  0  0
 10 43  1  0  0  0
 11 12  1  0  0  0
 11 44  1  0  0  0
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 12 13  1  0  0  0
 12 46  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 23  1  0  0  0
 15 16  2  0  0  0
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 17 18  1  0  0  0
 17 24  1  0  0  0
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 18 19  2  0  0  0
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 20 21  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2179682

>  <PubChem CID>
71457294

>  <Formula>
C19H29ClN4O

>  <Molecular Weight>
364.918000

>  <IUPAC Name>
N-[(1-butylpiperidin-4-yl)methyl]-1-methylindazole-3-carboxamide;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCCCN1CCC(CC1)CNC(=O)C2=NN(C3=CC=CC=C32)C.Cl

>  <Isomeric SMILES>
CCCCN1CCC(CC1)CNC(=O)C2=NN(C3=CC=CC=C32)C.Cl

>  <InChI Std. ID>
InChI=1S/C19H28N4O.ClH/c1-3-4-11-23-12-9-15(10-13-23)14-20-19(24)18-16-7-5-6-8-17(16)22(2)21-18;/h5-8,15H,3-4,9-14H2,1-2H3,(H,20,24);1H

>  <InChI Key>
CBMMSKQIJOYKEN-UHFFFAOYSA-N

