
 CHEMBL390200

 54 58  0  0  0  0  0  0  0  0999 V2000
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    2.9388   -1.5216    2.6012 C   0  0  0  0  0
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    1.0228   -2.7559    1.8023 C   0  0  0  0  0
   -2.1255    0.3386   -1.9207 C   0  0  0  0  0
   -2.6005   -0.7193   -2.3374 O   0  0  0  0  0
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   -4.2842    1.4644   -1.2882 C   0  0  0  0  0
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   -3.8714    3.6503   -1.7456 N   0  0  0  0  0
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    1.8169    1.7207   -1.3157 H   0  0  0  0  0
    1.5342    2.1807    0.3428 H   0  0  0  0  0
   -0.4259    2.4628   -1.2003 H   0  0  0  0  0
   -0.8194    1.5041    0.2278 H   0  0  0  0  0
   -0.6451   -1.4526   -0.6712 H   0  0  0  0  0
   -0.2294   -1.4252   -2.3821 H   0  0  0  0  0
    1.7547   -1.8501   -0.8600 H   0  0  0  0  0
    1.9523   -0.5355   -1.9777 H   0  0  0  0  0
    0.0632   -0.3562    1.2703 H   0  0  0  0  0
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    4.3759   -2.6543    3.7389 H   0  0  0  0  0
    3.1237   -4.7867    3.5392 H   0  0  0  0  0
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    0.0762   -2.8014    1.2696 H   0  0  0  0  0
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  1  6  1  0  0  0
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  1 30  1  0  0  0
  1 31  1  0  0  0
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  2 32  1  0  0  0
  2 33  1  0  0  0
  3  4  1  0  0  0
  3 14  1  0  0  0
  4  5  1  0  0  0
  4 34  1  0  0  0
  4 35  1  0  0  0
  5  6  1  0  0  0
  5 36  1  0  0  0
  5 37  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 38  1  0  0  0
  7 39  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 40  1  0  0  0
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 17 21  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL390200

>  <PubChem CID>
136118022

>  <Formula>
C23H25N5O

>  <Molecular Weight>
387.487000

>  <IUPAC Name>
(4-benzylpiperazin-1-yl)-(2-phenyl-2,3-dihydro-1H-imidazo[1,2-b]pyrazol-7-yl)methanone

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=C4NC(CN4N=C3)C5=CC=CC=C5

>  <Isomeric SMILES>
C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=C4NC(CN4N=C3)C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C23H25N5O/c29-23(27-13-11-26(12-14-27)16-18-7-3-1-4-8-18)20-15-24-28-17-21(25-22(20)28)19-9-5-2-6-10-19/h1-10,15,21,25H,11-14,16-17H2

>  <InChI Key>
DJHMATLRCWOTQH-UHFFFAOYSA-N

