
 CHEMBL211135

 41 44  0  0  0  0  0  0  0  0999 V2000
    0.7595    1.0815   -0.4003 C   0  0  0  0  0
   -0.7927    1.1224   -0.4019 C   0  0  0  0  0
   -1.3718   -0.1486   -0.8986 N   0  0  0  0  0
   -0.7789   -1.3581   -0.2889 C   0  0  0  0  0
    0.7615   -1.3048   -0.3767 C   0  0  0  0  0
    1.3750   -0.1035    0.2467 N   0  0  0  0  0
    1.1749   -0.0473    1.7093 C   0  0  0  0  0
    1.7845   -1.2342    2.3886 C   0  0  0  0  0
    3.0824   -1.4218    2.8187 C   0  0  0  0  0
    3.1294   -2.6908    3.3217 N   0  0  0  0  0
    1.8571   -3.2228    3.1920 C   0  0  0  0  0
    1.0239   -2.3611    2.6524 N   0  0  0  0  0
    1.6670   -4.5536    3.6237 C   0  0  0  0  0
    2.7053   -5.2247    4.1343 C   0  0  0  0  0
    4.0093   -4.5112    4.2205 C   0  0  0  0  0
    4.2336   -3.2936    3.8374 N   0  0  0  0  0
    5.3677   -5.3454    4.8868 Cl  0  0  0  0  0
   -2.7697   -0.1100   -1.0281 C   0  0  0  0  0
   -3.6422   -0.8918   -0.2552 C   0  0  0  0  0
   -5.0299   -0.8254   -0.4289 C   0  0  0  0  0
   -5.5674    0.0206   -1.3916 C   0  0  0  0  0
   -4.7298    0.8025   -2.1782 C   0  0  0  0  0
   -3.3446    0.7351   -1.9927 C   0  0  0  0  0
   -7.2709    0.0947   -1.6133 Cl  0  0  0  0  0
    1.1041    1.1062   -1.4431 H   0  0  0  0  0
    1.1479    2.0001    0.0562 H   0  0  0  0  0
   -1.0980    1.9648   -1.0345 H   0  0  0  0  0
   -1.1603    1.3257    0.6120 H   0  0  0  0  0
   -1.0825   -1.4601    0.7589 H   0  0  0  0  0
   -1.1209   -2.2492   -0.8293 H   0  0  0  0  0
    1.1907   -2.2257    0.0323 H   0  0  0  0  0
    1.0511   -1.3143   -1.4370 H   0  0  0  0  0
    0.1188    0.0192    1.9919 H   0  0  0  0  0
    1.6619    0.8547    2.1016 H   0  0  0  0  0
    3.9584   -0.7917    2.7879 H   0  0  0  0  0
    0.6850   -5.0015    3.5239 H   0  0  0  0  0
    2.6396   -6.2474    4.4790 H   0  0  0  0  0
   -3.2652   -1.5587    0.5143 H   0  0  0  0  0
   -5.6777   -1.4376    0.1916 H   0  0  0  0  0
   -5.1392    1.4570   -2.9422 H   0  0  0  0  0
   -2.7019    1.3312   -2.6373 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
  2 27  1  0  0  0
  2 28  1  0  0  0
  3  4  1  0  0  0
  3 18  1  0  0  0
  4  5  1  0  0  0
  4 29  1  0  0  0
  4 30  1  0  0  0
  5  6  1  0  0  0
  5 31  1  0  0  0
  5 32  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 33  1  0  0  0
  7 34  1  0  0  0
  8 12  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
  9 35  1  0  0  0
 10 11  1  0  0  0
 10 16  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 14  2  0  0  0
 13 36  1  0  0  0
 14 15  1  0  0  0
 14 37  1  0  0  0
 15 16  2  0  0  0
 15 17  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 38  1  0  0  0
 20 21  2  0  0  0
 20 39  1  0  0  0
 21 22  1  0  0  0
 21 24  1  0  0  0
 22 23  2  0  0  0
 22 40  1  0  0  0
 23 41  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL211135

>  <PubChem CID>
11559581

>  <Formula>
C17H17Cl2N5

>  <Molecular Weight>
362.258000

>  <IUPAC Name>
6-chloro-2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]imidazo[1,2-b]pyridazine

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CCN1CC2=CN3C(=N2)C=CC(=N3)Cl)C4=CC=C(C=C4)Cl

>  <Isomeric SMILES>
C1CN(CCN1CC2=CN3C(=N2)C=CC(=N3)Cl)C4=CC=C(C=C4)Cl

>  <InChI Std. ID>
InChI=1S/C17H17Cl2N5/c18-13-1-3-15(4-2-13)23-9-7-22(8-10-23)11-14-12-24-17(20-14)6-5-16(19)21-24/h1-6,12H,7-11H2

>  <InChI Key>
AGMWTWZTMQSDHF-UHFFFAOYSA-N

