
 CHEMBL218957

 49 53  0  0  0  0  0  0  0  0999 V2000
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   -2.3668   -1.8819    2.4544 C   0  0  0  0  0
   -1.5794   -2.2825    3.7013 C   0  0  0  0  0
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   -3.2857   -1.3329    5.1535 C   0  0  0  0  0
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   -1.7333   -2.9374    5.9808 N   0  0  0  0  0
   -1.2507   -4.2361    6.0921 C   0  0  0  0  0
   -1.4159   -5.1308    5.2643 O   0  0  0  0  0
   -0.4536   -4.4462    7.3081 C   0  0  0  0  0
   -0.3212   -3.5171    8.2871 N   0  0  0  0  0
    0.5545   -4.0702    9.2017 N   0  0  0  0  0
    0.8201   -5.3668    8.8671 C   0  0  0  0  0
    0.2523   -5.6056    7.6446 C   0  0  0  0  0
    0.4774   -6.9707    7.1002 C   0  0  0  0  0
    1.2307   -7.5268    8.3173 C   0  0  0  0  0
    1.4022   -6.5769    9.3655 C   0  0  0  0  0
    1.9683   -6.9295   10.5715 C   0  0  0  0  0
    2.4392   -8.2410   10.7105 C   0  0  0  0  0
    2.3110   -9.1707    9.6627 C   0  0  0  0  0
    1.6957   -8.8259    8.4584 C   0  0  0  0  0
    2.9097  -10.7714    9.8764 Cl  0  0  0  0  0
    0.9917   -3.2976   10.3031 C   0  0  0  0  0
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    0.4045   -1.6787   12.0240 C   0  0  0  0  0
    0.0560   -2.4315   10.9004 C   0  0  0  0  0
    2.1225   -0.8485   13.9295 Cl  0  0  0  0  0
    3.6236   -4.0824    9.9637 Cl  0  0  0  0  0
   -2.5908    0.2146    2.8935 H   0  0  0  0  0
   -3.8525   -0.4363    1.8466 H   0  0  0  0  0
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   -3.0016   -2.7182    2.1344 H   0  0  0  0  0
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    1.1131   -6.9615    6.2122 H   0  0  0  0  0
    2.0560   -6.2331   11.3961 H   0  0  0  0  0
    2.9074   -8.5428   11.6448 H   0  0  0  0  0
    1.5772   -9.5516    7.6606 H   0  0  0  0  0
    3.6622   -2.5998   12.3117 H   0  0  0  0  0
   -0.3326   -1.0272   12.4881 H   0  0  0  0  0
   -0.9610   -2.3593   10.5158 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  2 34  1  0  0  0
  3  4  1  0  0  0
  3 35  1  0  0  0
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  4  5  1  0  0  0
  4  7  1  0  0  0
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  5 38  1  0  0  0
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  6 40  1  0  0  0
  7  8  1  0  0  0
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  8 10  1  0  0  0
  8  9  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL218957

>  <PubChem CID>
44418727

>  <Formula>
C22H19Cl3N4O

>  <Molecular Weight>
461.771000

>  <IUPAC Name>
6-chloro-1-(2,4-dichlorophenyl)-N-piperidin-1-yl-4H-indeno[1,2-c]pyrazole-3-carboxamide

>  <XlogP>
6.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CCN(CC1)NC(=O)C2=NN(C3=C2CC4=C3C=CC(=C4)Cl)C5=C(C=C(C=C5)Cl)Cl

>  <Isomeric SMILES>
C1CCN(CC1)NC(=O)C2=NN(C3=C2CC4=C3C=CC(=C4)Cl)C5=C(C=C(C=C5)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C22H19Cl3N4O/c23-14-4-6-16-13(10-14)11-17-20(22(30)27-28-8-2-1-3-9-28)26-29(21(16)17)19-7-5-15(24)12-18(19)25/h4-7,10,12H,1-3,8-9,11H2,(H,27,30)

>  <InChI Key>
AOONPZHOPMGIMM-UHFFFAOYSA-N

