
 CHEMBL353276

 51 54  0  0  0  0  0  0  0  0999 V2000
    4.1909    1.5268   -0.9808 C   0  0  0  0  0
    5.0693    2.7920   -0.9981 C   0  0  0  0  0
    4.2912    3.9652   -1.2652 O   0  0  0  0  0
    3.2423    4.1057   -0.2982 C   0  0  0  0  0
    2.3333    2.8648   -0.2878 C   0  0  0  0  0
    3.0461    1.5891   -0.0390 N   0  0  0  0  0
    3.5109    1.4596    1.3589 C   0  0  0  0  0
    2.3759    1.2905    2.3979 C   0  0  0  0  0
    2.9236    1.1070    3.7475 N   0  0  0  0  0
    3.3494    2.2816    4.3945 C   0  0  0  0  0
    3.2201    3.4958    3.8463 N   0  0  0  0  0
    3.7002    4.6171    4.4956 N   0  0  0  0  0
    4.3595    4.5346    5.6813 C   0  0  0  0  0
    4.5405    3.2780    6.2826 C   0  0  0  0  0
    3.9906    2.1598    5.6165 C   0  0  0  0  0
    5.3034    3.0159    7.5202 C   0  0  0  0  0
    4.9902    3.6181    8.7470 C   0  0  0  0  0
    5.7715    3.3787    9.8824 C   0  0  0  0  0
    6.8583    2.5065    9.8199 C   0  0  0  0  0
    7.1649    1.8728    8.6227 C   0  0  0  0  0
    6.3973    2.1267    7.4854 C   0  0  0  0  0
    4.8118    5.8591    6.1858 C   0  0  0  0  0
    4.0359    7.0111    5.9281 C   0  0  0  0  0
    4.4158    8.2785    6.3780 C   0  0  0  0  0
    5.5866    8.4333    7.1122 C   0  0  0  0  0
    6.3831    7.3233    7.3701 C   0  0  0  0  0
    6.0109    6.0588    6.8921 C   0  0  0  0  0
    3.7753    1.3830   -1.9873 H   0  0  0  0  0
    4.8081    0.6425   -0.7803 H   0  0  0  0  0
    5.8164    2.7078   -1.7938 H   0  0  0  0  0
    5.6106    2.9244   -0.0550 H   0  0  0  0  0
    3.6790    4.3036    0.6875 H   0  0  0  0  0
    2.6558    4.9869   -0.5781 H   0  0  0  0  0
    1.5085    3.0058    0.4178 H   0  0  0  0  0
    1.8617    2.7791   -1.2763 H   0  0  0  0  0
    4.1630    2.2932    1.6418 H   0  0  0  0  0
    4.1358    0.5580    1.4304 H   0  0  0  0  0
    1.8092    0.3865    2.1434 H   0  0  0  0  0
    1.6591    2.1181    2.3799 H   0  0  0  0  0
    2.2846    0.6034    4.3563 H   0  0  0  0  0
    4.1060    1.1671    6.0458 H   0  0  0  0  0
    4.1488    4.3047    8.8259 H   0  0  0  0  0
    5.5352    3.8794   10.8201 H   0  0  0  0  0
    7.4627    2.3233   10.7046 H   0  0  0  0  0
    8.0052    1.1847    8.5662 H   0  0  0  0  0
    6.6704    1.6307    6.5530 H   0  0  0  0  0
    3.1131    6.9272    5.3565 H   0  0  0  0  0
    3.7982    9.1441    6.1485 H   0  0  0  0  0
    5.8823    9.4150    7.4700 H   0  0  0  0  0
    7.3043    7.4362    7.9351 H   0  0  0  0  0
    6.6928    5.2329    7.0837 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  2 31  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 32  1  0  0  0
  4 33  1  0  0  0
  5  6  1  0  0  0
  5 34  1  0  0  0
  5 35  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 36  1  0  0  0
  7 37  1  0  0  0
  8  9  1  0  0  0
  8 38  1  0  0  0
  8 39  1  0  0  0
  9 10  1  0  0  0
  9 40  1  0  0  0
 10 15  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 22  1  0  0  0
 14 15  2  0  0  0
 14 16  1  0  0  0
 15 41  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 42  1  0  0  0
 18 19  2  0  0  0
 18 43  1  0  0  0
 19 20  1  0  0  0
 19 44  1  0  0  0
 20 21  2  0  0  0
 20 45  1  0  0  0
 21 46  1  0  0  0
 22 23  2  0  0  0
 22 27  1  0  0  0
 23 24  1  0  0  0
 23 47  1  0  0  0
 24 25  2  0  0  0
 24 48  1  0  0  0
 25 26  1  0  0  0
 25 49  1  0  0  0
 26 27  2  0  0  0
 26 50  1  0  0  0
 27 51  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL353276

>  <PubChem CID>
13218695

>  <Formula>
C22H24N4O

>  <Molecular Weight>
360.461000

>  <IUPAC Name>
N-(2-morpholin-4-ylethyl)-5,6-diphenylpyridazin-3-amine

>  <XlogP>
3.500

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1COCCN1CCNC2=NN=C(C(=C2)C3=CC=CC=C3)C4=CC=CC=C4

>  <Isomeric SMILES>
C1COCCN1CCNC2=NN=C(C(=C2)C3=CC=CC=C3)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C22H24N4O/c1-3-7-18(8-4-1)20-17-21(23-11-12-26-13-15-27-16-14-26)24-25-22(20)19-9-5-2-6-10-19/h1-10,17H,11-16H2,(H,23,24)

>  <InChI Key>
ALWGUMZAUWVVRF-UHFFFAOYSA-N

