
 CHEMBL2381808

 59 61  0  0  0  0  0  0  0  0999 V2000
    2.3714   -1.2537   -3.2201 C   0  0  0  0  0
    3.6941   -0.9288   -2.5437 C   0  0  0  0  0
    4.4524    0.1656   -3.2964 C   0  0  0  0  0
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    5.7643    1.0591   -1.2908 C   0  0  0  0  0
    7.1115    1.4040   -0.8065 N   0  0  0  0  0
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    8.8824    3.0566   -0.5911 C   0  0  0  0  0
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   10.8644    2.2924    0.5283 O   0  0  0  0  0
    9.1643    0.7759    0.1927 N   0  0  0  0  0
    7.8921    0.4362   -0.2405 C   0  0  0  0  0
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    8.9681   -1.3102    0.5934 C   0  0  0  0  0
    9.8264   -0.2903    0.7208 N   0  0  0  0  0
    9.3607   -2.6879    1.0117 C   0  0  0  0  0
    8.9965   -2.9890    2.4562 C   0  0  0  0  0
    9.3049    4.4516   -0.8926 C   0  0  0  0  0
    8.5648    5.2259   -1.4919 O   0  0  0  0  0
   10.5624    4.7991   -0.4745 N   0  0  0  0  0
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   12.5162    8.6978    0.7449 C   0  0  0  0  0
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    2.5295   -1.6092   -4.2431 H   0  0  0  0  0
    1.7242   -0.3716   -3.2576 H   0  0  0  0  0
    4.3053   -1.8372   -2.4915 H   0  0  0  0  0
    3.4889   -0.6141   -1.5153 H   0  0  0  0  0
    3.8541    1.0844   -3.3192 H   0  0  0  0  0
    4.5906   -0.1471   -4.3389 H   0  0  0  0  0
    6.3471    1.1711   -3.3651 H   0  0  0  0  0
    6.4337   -0.4503   -2.7006 H   0  0  0  0  0
    5.2843    0.3648   -0.5918 H   0  0  0  0  0
    5.1330    1.9571   -1.2999 H   0  0  0  0  0
    6.9823    3.3658   -1.4926 H   0  0  0  0  0
    6.8792   -1.5213   -0.1907 H   0  0  0  0  0
   10.4398   -2.8255    0.8719 H   0  0  0  0  0
    8.8675   -3.4177    0.3576 H   0  0  0  0  0
    9.5044   -2.3043    3.1433 H   0  0  0  0  0
    9.2906   -4.0114    2.7148 H   0  0  0  0  0
    7.9179   -2.8939    2.6214 H   0  0  0  0  0
   11.1025    4.1277    0.0760 H   0  0  0  0  0
   10.7653    6.4705   -1.6657 H   0  0  0  0  0
   10.7821    6.7073    1.3814 H   0  0  0  0  0
    9.4774    7.1233    0.2958 H   0  0  0  0  0
   10.9470    8.9265   -0.7480 H   0  0  0  0  0
   10.4418    9.1544    0.9181 H   0  0  0  0  0
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   12.6881    8.0658    1.6250 H   0  0  0  0  0
   13.7838    9.3304   -0.8698 H   0  0  0  0  0
   14.5240    8.1877    0.2252 H   0  0  0  0  0
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   14.2633    7.0128   -1.7587 H   0  0  0  0  0
   12.9288    5.2028   -1.3659 H   0  0  0  0  0
   13.0604    5.8141    0.2715 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
  2 31  1  0  0  0
  2 32  1  0  0  0
  3  4  1  0  0  0
  3 33  1  0  0  0
  3 34  1  0  0  0
  4  5  1  0  0  0
  4 35  1  0  0  0
  4 36  1  0  0  0
  5  6  1  0  0  0
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  5 38  1  0  0  0
  6  7  1  0  0  0
  6 12  1  0  0  0
  7  8  2  0  0  0
  7 39  1  0  0  0
  8  9  1  0  0  0
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  9 11  1  0  0  0
  9 10  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2381808

>  <PubChem CID>
71683082

>  <Formula>
C21H32N4O2

>  <Molecular Weight>
372.513000

>  <IUPAC Name>
N-cycloheptyl-2-ethyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCCCCN1C=C(C(=O)N2C1=CC(=N2)CC)C(=O)NC3CCCCCC3

>  <Isomeric SMILES>
CCCCCN1C=C(C(=O)N2C1=CC(=N2)CC)C(=O)NC3CCCCCC3

>  <InChI Std. ID>
InChI=1S/C21H32N4O2/c1-3-5-10-13-24-15-18(20(26)22-17-11-8-6-7-9-12-17)21(27)25-19(24)14-16(4-2)23-25/h14-15,17H,3-13H2,1-2H3,(H,22,26)

>  <InChI Key>
FDWXWGMBMDDQLS-UHFFFAOYSA-N

