
 CHEMBL1945848

 59 63  0  0  0  0  0  0  0  0999 V2000
    3.5254   -0.2983   -1.6961 C   0  0  0  0  0
    4.4474   -0.1197   -0.5103 C   0  0  0  0  0
    5.1763    0.9497   -0.4875 N   0  0  0  0  0
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    6.1827    0.2287    1.6255 C   0  0  0  0  0
    6.9231    0.2865    2.6058 O   0  0  0  0  0
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    2.3476   -2.3917    0.9921 C   0  0  0  0  0
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    0.6999   -7.9340    0.8575 C   0  0  0  0  0
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    7.3614    4.4323   -0.6033 C   0  0  0  0  0
    8.2628    4.7198    0.4082 C   0  0  0  0  0
    8.3920    3.8022    1.4319 C   0  0  0  0  0
    7.6920    2.6487    1.5030 N   0  0  0  0  0
    2.4977   -0.4561   -1.3588 H   0  0  0  0  0
    3.8549   -1.1536   -2.2927 H   0  0  0  0  0
    3.5441    0.5939   -2.3297 H   0  0  0  0  0
    5.4306   -1.6776    2.3615 H   0  0  0  0  0
    5.1422   -3.5528   -0.5694 H   0  0  0  0  0
    3.7483   -5.5402   -0.7809 H   0  0  0  0  0
    0.5315   -3.5227    1.2543 H   0  0  0  0  0
    1.9420   -1.5118    1.4875 H   0  0  0  0  0
    2.6407   -7.0908    0.5707 H   0  0  0  0  0
    0.4973   -7.4896    1.8393 H   0  0  0  0  0
    1.1652   -8.9130    1.0297 H   0  0  0  0  0
   -1.2439   -8.7997    0.7339 H   0  0  0  0  0
   -1.1703   -7.1760    0.0511 H   0  0  0  0  0
    0.5814   -8.1930   -3.0145 H   0  0  0  0  0
   -0.1085   -6.8205   -2.1492 H   0  0  0  0  0
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    2.3229   -6.8235   -1.9930 H   0  0  0  0  0
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    7.2219    5.1210   -1.4314 H   0  0  0  0  0
    8.8484    5.6317    0.4006 H   0  0  0  0  0
    9.0826    3.9699    2.2534 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  8  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 26  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  7  8  2  0  0  0
  7 35  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
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 11 12  2  0  0  0
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 30 59  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1945848

>  <PubChem CID>
24996645

>  <Formula>
C25H28N4O2

>  <Molecular Weight>
416.525000

>  <IUPAC Name>
5-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-6-methyl-2-pyridin-2-ylpyridazin-3-one

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=NN(C(=O)C=C1C2=CC=C(C=C2)OC3CCN(CC3)C4CCC4)C5=CC=CC=N5

>  <Isomeric SMILES>
CC1=NN(C(=O)C=C1C2=CC=C(C=C2)OC3CCN(CC3)C4CCC4)C5=CC=CC=N5

>  <InChI Std. ID>
InChI=1S/C25H28N4O2/c1-18-23(17-25(30)29(27-18)24-7-2-3-14-26-24)19-8-10-21(11-9-19)31-22-12-15-28(16-13-22)20-5-4-6-20/h2-3,7-11,14,17,20,22H,4-6,12-13,15-16H2,1H3

>  <InChI Key>
AUHYFUJMJOAHEZ-UHFFFAOYSA-N

