
 CHEMBL2397302

 58 62  0  0  0  0  0  0  0  0999 V2000
    0.6293   -1.1909   -1.4021 C   0  0  0  0  0
    2.1246   -1.0036   -1.2204 C   0  0  0  0  0
    2.3253   -0.0129   -0.2131 O   0  0  0  0  0
    3.6182    0.3278    0.0738 C   0  0  0  0  0
    3.7565    1.3544    1.0061 C   0  0  0  0  0
    5.0197    1.8009    1.3795 C   0  0  0  0  0
    6.1534    1.2176    0.8130 C   0  0  0  0  0
    6.0593    0.1715   -0.1260 C   0  0  0  0  0
    4.7630   -0.2573   -0.4760 C   0  0  0  0  0
    7.3098   -0.4512   -0.7591 C   0  0  0  0  0
    8.4221   -0.9817    0.1598 C   0  0  0  0  0
    7.5672   -1.9515   -0.5923 C   0  0  0  0  0
    6.8874   -2.8472    0.4084 C   0  0  0  0  0
    7.7728   -2.7580    1.6595 C   0  0  0  0  0
    8.3027   -1.3146    1.6242 C   0  0  0  0  0
    8.9113   -3.7787    1.6079 C   0  0  0  0  0
    7.8271    0.1853   -2.0162 N   0  0  0  0  0
    7.4513   -0.4441   -3.2913 C   0  0  0  0  0
    6.1111    0.0166   -3.8850 C   0  0  0  0  0
    6.0291    1.4903   -3.9823 N   0  0  0  0  0
    6.4019    2.1900   -2.7328 C   0  0  0  0  0
    7.7280    1.6478   -2.1394 C   0  0  0  0  0
    4.8104    1.9044   -4.5621 C   0  0  0  0  0
    3.9293    0.9891   -5.0376 N   0  0  0  0  0
    2.7377    1.3562   -5.6294 N   0  0  0  0  0
    2.4485    2.6589   -5.7523 C   0  0  0  0  0
    3.3012    3.6440   -5.3118 C   0  0  0  0  0
    4.5025    3.2552   -4.7157 C   0  0  0  0  0
    0.9554    3.0231   -6.5019 Cl  0  0  0  0  0
    0.4215   -1.9609   -2.1504 H   0  0  0  0  0
    0.1597   -0.2539   -1.7189 H   0  0  0  0  0
    0.1588   -1.4798   -0.4564 H   0  0  0  0  0
    2.5643   -0.6783   -2.1706 H   0  0  0  0  0
    2.5664   -1.9562   -0.9057 H   0  0  0  0  0
    2.8709    1.8079    1.4435 H   0  0  0  0  0
    5.1222    2.5996    2.1089 H   0  0  0  0  0
    7.1363    1.5799    1.1101 H   0  0  0  0  0
    4.6818   -1.0688   -1.1914 H   0  0  0  0  0
    9.4518   -0.8638   -0.1560 H   0  0  0  0  0
    8.0599   -2.5172   -1.3724 H   0  0  0  0  0
    6.8036   -3.8728    0.0341 H   0  0  0  0  0
    5.8759   -2.5025    0.6395 H   0  0  0  0  0
    7.1895   -2.9405    2.5688 H   0  0  0  0  0
    9.2693   -1.2234    2.1311 H   0  0  0  0  0
    7.6041   -0.6464    2.1342 H   0  0  0  0  0
    9.5386   -3.6499    0.7195 H   0  0  0  0  0
    8.5117   -4.7985    1.5912 H   0  0  0  0  0
    9.5532   -3.6841    2.4899 H   0  0  0  0  0
    7.4530   -1.5362   -3.2217 H   0  0  0  0  0
    8.2429   -0.2064   -4.0152 H   0  0  0  0  0
    6.0307   -0.4281   -4.8860 H   0  0  0  0  0
    5.2899   -0.3769   -3.2767 H   0  0  0  0  0
    6.5616    3.2569   -2.9251 H   0  0  0  0  0
    5.5892    2.1095   -2.0047 H   0  0  0  0  0
    8.5405    1.9671   -2.8068 H   0  0  0  0  0
    7.9445    2.1405   -1.1852 H   0  0  0  0  0
    3.0554    4.6923   -5.4305 H   0  0  0  0  0
    5.1954    4.0255   -4.3986 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  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
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 35  1  0  0  0
  6  7  2  0  0  0
  6 36  1  0  0  0
  7  8  1  0  0  0
  7 37  1  0  0  0
  8  9  2  0  0  0
  8 10  1  0  0  0
  9 38  1  0  0  0
 10 12  1  0  0  0
 10 11  1  0  0  0
 10 17  1  0  0  0
 11 12  1  0  0  0
 11 15  1  0  0  0
 11 39  1  0  0  0
 12 13  1  0  0  0
 12 40  1  0  0  0
 13 14  1  0  0  0
 13 41  1  0  0  0
 13 42  1  0  0  0
 14 15  1  0  0  0
 14 16  1  0  0  0
 14 43  1  0  0  0
 15 44  1  0  0  0
 15 45  1  0  0  0
 16 46  1  0  0  0
 16 47  1  0  0  0
 16 48  1  0  0  0
 17 22  1  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 18 49  1  0  0  0
 18 50  1  0  0  0
 19 20  1  0  0  0
 19 51  1  0  0  0
 19 52  1  0  0  0
 20 21  1  0  0  0
 20 23  1  0  0  0
 21 22  1  0  0  0
 21 53  1  0  0  0
 21 54  1  0  0  0
 22 55  1  0  0  0
 22 56  1  0  0  0
 23 24  2  0  0  0
 23 28  1  0  0  0
 24 25  1  0  0  0
 25 26  2  0  0  0
 26 27  1  0  0  0
 26 29  1  0  0  0
 27 28  2  0  0  0
 27 57  1  0  0  0
 28 58  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2397302

>  <PubChem CID>
73350552

>  <Formula>
C23H29ClN4O

>  <Molecular Weight>
412.962000

>  <IUPAC Name>
3-chloro-6-[4-[6-(3-ethoxyphenyl)-3-methyl-6-bicyclo[3.1.0]hexanyl]piperazin-1-yl]pyridazine

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCOC1=CC=CC(=C1)C2(C3C2CC(C3)C)N4CCN(CC4)C5=NN=C(C=C5)Cl

>  <Isomeric SMILES>
CCOC1=CC=CC(=C1)C2(C3C2CC(C3)C)N4CCN(CC4)C5=NN=C(C=C5)Cl

>  <InChI Std. ID>
InChI=1S/C23H29ClN4O/c1-3-29-18-6-4-5-17(15-18)23(19-13-16(2)14-20(19)23)28-11-9-27(10-12-28)22-8-7-21(24)25-26-22/h4-8,15-16,19-20H,3,9-14H2,1-2H3

>  <InChI Key>
ABMVPPVIAHIGQO-UHFFFAOYSA-N

