
 CHEMBL378515

 45 48  0  0  0  0  0  0  0  0999 V2000
    5.3932    0.4365   -5.9492 C   0  0  0  0  0
    4.9007    0.6377   -4.6288 O   0  0  0  0  0
    3.8164    1.4725   -4.5174 C   0  0  0  0  0
    3.7239    2.6344   -5.3053 C   0  0  0  0  0
    2.6825    3.5419   -5.1228 C   0  0  0  0  0
    1.7259    3.3052   -4.1465 C   0  0  0  0  0
    1.8142    2.1590   -3.3546 C   0  0  0  0  0
    2.8543    1.2184   -3.5107 C   0  0  0  0  0
    2.8508    0.1265   -2.6088 N   0  0  0  0  0
    3.3605    0.5479   -1.2799 C   0  0  0  0  0
    3.2888   -0.6124   -0.2618 C   0  0  0  0  0
    3.9536   -1.8676   -0.6938 N   0  0  0  0  0
    3.3100   -2.2558   -1.9777 C   0  0  0  0  0
    3.3642   -1.1726   -3.0876 C   0  0  0  0  0
    5.4095   -1.6894   -0.8932 C   0  0  0  0  0
    6.1064   -1.3010    0.3743 C   0  0  0  0  0
    6.7235   -2.1035    1.3113 C   0  0  0  0  0
    7.2292   -1.2552    2.2552 N   0  0  0  0  0
    6.8968    0.0302    1.8628 C   0  0  0  0  0
    6.2378    0.0328    0.7257 N   0  0  0  0  0
    7.3038    1.0890    2.7017 C   0  0  0  0  0
    7.9967    0.8066    3.8119 C   0  0  0  0  0
    8.2971   -0.6258    4.0878 C   0  0  0  0  0
    7.9348   -1.6314    3.3550 N   0  0  0  0  0
    9.2076   -1.0232    5.5006 Cl  0  0  0  0  0
    6.0058   -0.4705   -5.9396 H   0  0  0  0  0
    6.0382    1.2667   -6.2522 H   0  0  0  0  0
    4.5819    0.2834   -6.6692 H   0  0  0  0  0
    4.4817    2.8711   -6.0447 H   0  0  0  0  0
    2.6324    4.4414   -5.7306 H   0  0  0  0  0
    0.9160    4.0119   -3.9890 H   0  0  0  0  0
    1.0554    1.9877   -2.5938 H   0  0  0  0  0
    2.7497    1.3678   -0.8814 H   0  0  0  0  0
    4.3885    0.9197   -1.3654 H   0  0  0  0  0
    3.6679   -0.2815    0.7109 H   0  0  0  0  0
    2.2305   -0.8452   -0.0753 H   0  0  0  0  0
    3.7643   -3.1822   -2.3512 H   0  0  0  0  0
    2.2597   -2.5046   -1.7750 H   0  0  0  0  0
    4.4018   -1.1195   -3.4175 H   0  0  0  0  0
    2.7602   -1.5107   -3.9382 H   0  0  0  0  0
    5.6525   -0.9416   -1.6559 H   0  0  0  0  0
    5.8390   -2.6380   -1.2406 H   0  0  0  0  0
    6.8470   -3.1732    1.3853 H   0  0  0  0  0
    7.0436    2.1045    2.4279 H   0  0  0  0  0
    8.3417    1.5619    4.5039 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 29  1  0  0  0
  5  6  2  0  0  0
  5 30  1  0  0  0
  6  7  1  0  0  0
  6 31  1  0  0  0
  7  8  2  0  0  0
  7 32  1  0  0  0
  8  9  1  0  0  0
  9 14  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 10 33  1  0  0  0
 10 34  1  0  0  0
 11 12  1  0  0  0
 11 35  1  0  0  0
 11 36  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  1  0  0  0
 13 37  1  0  0  0
 13 38  1  0  0  0
 14 39  1  0  0  0
 14 40  1  0  0  0
 15 16  1  0  0  0
 15 41  1  0  0  0
 15 42  1  0  0  0
 16 20  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 17 43  1  0  0  0
 18 19  1  0  0  0
 18 24  1  0  0  0
 19 21  1  0  0  0
 19 20  2  0  0  0
 21 22  2  0  0  0
 21 44  1  0  0  0
 22 23  1  0  0  0
 22 45  1  0  0  0
 23 24  2  0  0  0
 23 25  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL378515

>  <PubChem CID>
11581237

>  <Formula>
C18H20ClN5O

>  <Molecular Weight>
357.842000

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

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
COC1=CC=CC=C1N2CCN(CC2)CC3=CN4C(=N3)C=CC(=N4)Cl

>  <Isomeric SMILES>
COC1=CC=CC=C1N2CCN(CC2)CC3=CN4C(=N3)C=CC(=N4)Cl

>  <InChI Std. ID>
InChI=1S/C18H20ClN5O/c1-25-16-5-3-2-4-15(16)23-10-8-22(9-11-23)12-14-13-24-18(20-14)7-6-17(19)21-24/h2-7,13H,8-12H2,1H3

>  <InChI Key>
GSYFEKZSWFXBAB-UHFFFAOYSA-N

