
 CHEMBL328925

 46 49  0  0  0  0  0  0  0  0999 V2000
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   -0.5525   -1.6519   -2.2473 C   0  0  0  0  0
   -1.1877   -2.9866   -2.1420 N   0  0  0  0  0
   -1.8486   -3.2721   -0.8440 C   0  0  0  0  0
   -1.0609   -2.7345    0.3782 C   0  0  0  0  0
   -0.5968   -1.3323    0.2850 N   0  0  0  0  0
   -1.7388   -0.4040    0.3476 C   0  0  0  0  0
   -1.3772    1.0771    0.2737 C   0  0  0  0  0
   -1.8672    1.7792   -0.7816 C   0  0  0  0  0
   -1.6412    3.1957   -0.9740 C   0  0  0  0  0
   -0.9300    3.8599   -0.0559 C   0  0  0  0  0
   -0.4161    3.1889    1.0505 N   0  0  0  0  0
   -0.6040    1.8116    1.2588 C   0  0  0  0  0
    0.0528    1.5072    2.4431 C   0  0  0  0  0
    0.5890    2.7420    2.8670 C   0  0  0  0  0
    0.3084    3.7491    2.0479 N   0  0  0  0  0
    0.2215    0.2294    3.1761 C   0  0  0  0  0
    1.5874   -0.1693    3.2018 O   0  0  0  0  0
   -1.8254   -3.4854   -3.2992 C   0  0  0  0  0
   -2.6005   -4.6613   -3.2732 C   0  0  0  0  0
   -3.2337   -5.1701   -4.4176 C   0  0  0  0  0
   -3.0919   -4.5195   -5.6337 C   0  0  0  0  0
   -2.3145   -3.3746   -5.7130 C   0  0  0  0  0
   -1.6874   -2.8747   -4.5621 C   0  0  0  0  0
   -3.8671   -5.1347   -7.0390 Cl  0  0  0  0  0
    1.0762   -1.8599   -0.8500 H   0  0  0  0  0
    0.5792   -0.2113   -1.0857 H   0  0  0  0  0
    0.2036   -1.6607   -3.0414 H   0  0  0  0  0
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   -0.7172    4.9187   -0.1098 H   0  0  0  0  0
    1.1820    2.9375    3.7523 H   0  0  0  0  0
   -0.3654   -0.5885    2.7617 H   0  0  0  0  0
   -0.1054    0.3535    4.2137 H   0  0  0  0  0
    1.8492   -0.2632    2.2687 H   0  0  0  0  0
   -2.7253   -5.2343   -2.3603 H   0  0  0  0  0
   -3.8257   -6.0782   -4.3444 H   0  0  0  0  0
   -2.1830   -2.8612   -6.6616 H   0  0  0  0  0
   -1.0885   -1.9798   -4.6973 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  2 29  1  0  0  0
  3  4  1  0  0  0
  3 19  1  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  4 31  1  0  0  0
  5  6  1  0  0  0
  5 32  1  0  0  0
  5 33  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 34  1  0  0  0
  7 35  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 36  1  0  0  0
 10 11  2  0  0  0
 10 37  1  0  0  0
 11 12  1  0  0  0
 11 38  1  0  0  0
 12 16  1  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 17  1  0  0  0
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 15 39  1  0  0  0
 17 18  1  0  0  0
 17 40  1  0  0  0
 17 41  1  0  0  0
 18 42  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
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 24 46  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL328925

>  <PubChem CID>
11078813

>  <Formula>
C19H21ClN4O

>  <Molecular Weight>
356.854000

>  <IUPAC Name>
[4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridin-3-yl]methanol

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CCN1CC2=CC=CN3C2=C(C=N3)CO)C4=CC=C(C=C4)Cl

>  <Isomeric SMILES>
C1CN(CCN1CC2=CC=CN3C2=C(C=N3)CO)C4=CC=C(C=C4)Cl

>  <InChI Std. ID>
InChI=1S/C19H21ClN4O/c20-17-3-5-18(6-4-17)23-10-8-22(9-11-23)13-15-2-1-7-24-19(15)16(14-25)12-21-24/h1-7,12,25H,8-11,13-14H2

>  <InChI Key>
BLLNREQHFDCHGW-UHFFFAOYSA-N

