
 CHEMBL2381792

 60 63  0  0  0  0  0  0  0  0999 V2000
    1.1879    1.9825   -3.7385 C   0  0  0  0  0
    2.7071    2.0403   -3.6840 C   0  0  0  0  0
    3.2069    2.1407   -2.2447 C   0  0  0  0  0
    4.7363    2.2054   -2.1718 C   0  0  0  0  0
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    6.6512    2.3926   -0.5879 N   0  0  0  0  0
    7.3131    3.6185   -0.5797 C   0  0  0  0  0
    8.5809    3.8154   -0.1589 C   0  0  0  0  0
    9.3466    2.6228    0.3047 C   0  0  0  0  0
   10.4829    2.6743    0.7644 O   0  0  0  0  0
    8.6638    1.3975    0.1680 N   0  0  0  0  0
    7.3501    1.2721   -0.2502 C   0  0  0  0  0
    7.0645   -0.0694   -0.1885 C   0  0  0  0  0
    8.2726   -0.7185    0.1835 C   0  0  0  0  0
    9.2302    0.1928    0.4557 N   0  0  0  0  0
    8.5269   -2.1678    0.3195 C   0  0  0  0  0
    9.4948   -2.5958    1.2512 C   0  0  0  0  0
    9.7845   -3.9538    1.4356 C   0  0  0  0  0
    9.1079   -4.9174    0.6975 C   0  0  0  0  0
    8.1515   -4.5212   -0.2328 C   0  0  0  0  0
    7.8681   -3.1626   -0.4343 C   0  0  0  0  0
    6.7251   -2.8312   -1.6948 Cl  0  0  0  0  0
    9.1285    5.2082   -0.1763 C   0  0  0  0  0
    8.4078    6.1789   -0.3935 O   0  0  0  0  0
   10.4790    5.3060    0.0476 N   0  0  0  0  0
   11.2311    6.5633    0.0483 C   0  0  0  0  0
   12.6092    6.3201   -0.5806 C   0  0  0  0  0
   13.5144    7.5468   -0.5107 C   0  0  0  0  0
   13.6464    8.0632    0.9169 C   0  0  0  0  0
   12.2774    8.3461    1.5300 C   0  0  0  0  0
   11.3661    7.1193    1.4726 C   0  0  0  0  0
    0.8482    1.9034   -4.7760 H   0  0  0  0  0
    0.7442    2.8839   -3.3039 H   0  0  0  0  0
    0.8073    1.1146   -3.1898 H   0  0  0  0  0
    3.0550    2.9051   -4.2602 H   0  0  0  0  0
    3.1192    1.1432   -4.1593 H   0  0  0  0  0
    2.8503    1.2752   -1.6728 H   0  0  0  0  0
    2.7813    3.0342   -1.7719 H   0  0  0  0  0
    5.0989    3.0701   -2.7409 H   0  0  0  0  0
    5.1709    1.3121   -2.6365 H   0  0  0  0  0
    4.7907    1.4638   -0.1407 H   0  0  0  0  0
    4.7392    3.2057   -0.2570 H   0  0  0  0  0
    6.7026    4.4470   -0.9391 H   0  0  0  0  0
    6.1134   -0.5210   -0.4196 H   0  0  0  0  0
   10.0426   -1.8630    1.8463 H   0  0  0  0  0
   10.5442   -4.2543    2.1559 H   0  0  0  0  0
    9.3306   -5.9715    0.8344 H   0  0  0  0  0
    7.6355   -5.2806   -0.8165 H   0  0  0  0  0
   10.9831    4.4644    0.3456 H   0  0  0  0  0
   10.6844    7.2922   -0.5611 H   0  0  0  0  0
   12.4909    6.0150   -1.6282 H   0  0  0  0  0
   13.1060    5.4844   -0.0714 H   0  0  0  0  0
   14.5071    7.2932   -0.9016 H   0  0  0  0  0
   13.1118    8.3394   -1.1526 H   0  0  0  0  0
   14.1769    7.3240    1.5286 H   0  0  0  0  0
   14.2525    8.9769    0.9250 H   0  0  0  0  0
   12.4024    8.6655    2.5697 H   0  0  0  0  0
   11.8053    9.1794    0.9943 H   0  0  0  0  0
   11.7680    6.3438    2.1361 H   0  0  0  0  0
   10.3762    7.3824    1.8690 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  3  1  0  0  0
  2 35  1  0  0  0
  2 36  1  0  0  0
  3  4  1  0  0  0
  3 37  1  0  0  0
  3 38  1  0  0  0
  4  5  1  0  0  0
  4 39  1  0  0  0
  4 40  1  0  0  0
  5  6  1  0  0  0
  5 41  1  0  0  0
  5 42  1  0  0  0
  6  7  1  0  0  0
  6 12  1  0  0  0
  7  8  2  0  0  0
  7 43  1  0  0  0
  8  9  1  0  0  0
  8 23  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
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 12 13  2  0  0  0
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 27 28  1  0  0  0
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 27 52  1  0  0  0
 28 29  1  0  0  0
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 29 30  1  0  0  0
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 29 56  1  0  0  0
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 30 58  1  0  0  0
 31 59  1  0  0  0
 31 60  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2381792

>  <PubChem CID>
71681040

>  <Formula>
C24H29ClN4O2

>  <Molecular Weight>
440.972000

>  <IUPAC Name>
2-(2-chlorophenyl)-N-cyclohexyl-7-oxo-4-pentylpyrazolo[1,5-a]pyrimidine-6-carboxamide

>  <XlogP>
5.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCCCCN1C=C(C(=O)N2C1=CC(=N2)C3=CC=CC=C3Cl)C(=O)NC4CCCCC4

>  <Isomeric SMILES>
CCCCCN1C=C(C(=O)N2C1=CC(=N2)C3=CC=CC=C3Cl)C(=O)NC4CCCCC4

>  <InChI Std. ID>
InChI=1S/C24H29ClN4O2/c1-2-3-9-14-28-16-19(23(30)26-17-10-5-4-6-11-17)24(31)29-22(28)15-21(27-29)18-12-7-8-13-20(18)25/h7-8,12-13,15-17H,2-6,9-11,14H2,1H3,(H,26,30)

>  <InChI Key>
HSJNURVDTMNEII-UHFFFAOYSA-N

