
 CHEMBL207543

 56 60  0  0  0  0  0  0  0  0999 V2000
    2.2495   -5.0935   -3.1963 C   0  0  0  0  0
    2.1641   -3.9955   -2.1445 C   0  0  0  0  0
    0.7843   -3.9456   -1.4914 C   0  0  0  0  0
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   -3.5052   -3.8656    3.0104 C   0  0  0  0  0
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   -2.4037   -5.4744    2.1185 C   0  0  0  0  0
   -1.7775   -6.6690    1.7237 C   0  0  0  0  0
   -0.8504   -6.6262    0.7615 C   0  0  0  0  0
   -4.4944   -3.2241    3.9326 C   0  0  0  0  0
   -3.8804   -2.8433    5.2216 N   0  0  0  0  0
   -4.8945   -2.2494    6.1180 C   0  0  0  0  0
   -6.0015   -3.2136    6.6116 C   0  0  0  0  0
   -5.4865   -4.5039    7.1355 N   0  0  0  0  0
   -4.3289   -5.0701    6.3891 C   0  0  0  0  0
   -3.3111   -3.9950    5.9536 C   0  0  0  0  0
   -6.4417   -5.4362    7.5999 C   0  0  0  0  0
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   -7.0327   -7.7006    8.3805 C   0  0  0  0  0
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   -7.7889   -5.0912    7.8172 C   0  0  0  0  0
   -9.5796   -8.4217    9.0998 Cl  0  0  0  0  0
   -6.4727   -9.3024    8.7170 Cl  0  0  0  0  0
    1.5971   -4.8477   -4.0430 H   0  0  0  0  0
    3.2718   -5.1618   -3.5845 H   0  0  0  0  0
    2.3919   -3.0262   -2.6014 H   0  0  0  0  0
    2.9241   -4.1748   -1.3738 H   0  0  0  0  0
    0.8271   -3.1925   -0.6957 H   0  0  0  0  0
    0.0287   -3.6201   -2.2173 H   0  0  0  0  0
    0.2072   -7.3150   -1.5431 H   0  0  0  0  0
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    2.5608   -6.7311   -1.8345 H   0  0  0  0  0
    1.8333   -7.2021   -3.3718 H   0  0  0  0  0
   -2.5188   -2.2625    1.7679 H   0  0  0  0  0
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   -4.6893   -5.6259    5.5153 H   0  0  0  0  0
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   -9.7687   -5.6996    8.4105 H   0  0  0  0  0
   -8.1530   -4.0859    7.6285 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
  3 36  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  1  0  0  0
  5 37  1  0  0  0
  5 38  1  0  0  0
  6 39  1  0  0  0
  6 40  1  0  0  0
  7 15  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  9 13  1  0  0  0
  9 10  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL207543

>  <PubChem CID>
11517928

>  <Formula>
C22H26Cl2N6

>  <Molecular Weight>
445.392000

>  <IUPAC Name>
2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-6-piperidin-1-ylimidazo[1,2-b]pyridazine

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CCN(CC1)C2=NN3C=C(N=C3C=C2)CN4CCN(CC4)C5=CC(=C(C=C5)Cl)Cl

>  <Isomeric SMILES>
C1CCN(CC1)C2=NN3C=C(N=C3C=C2)CN4CCN(CC4)C5=CC(=C(C=C5)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C22H26Cl2N6/c23-19-5-4-18(14-20(19)24)28-12-10-27(11-13-28)15-17-16-30-21(25-17)6-7-22(26-30)29-8-2-1-3-9-29/h4-7,14,16H,1-3,8-13,15H2

>  <InChI Key>
ACHQQXOLWIKHRK-UHFFFAOYSA-N

