
 CHEMBL1968640

 50 53  0  0  0  0  0  0  0  0999 V2000
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    1.5564   -0.1070    0.6045 C   0  0  0  0  0
    1.4179    1.4310    0.6230 C   0  0  0  0  0
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    3.2453    3.1505    0.0197 C   0  0  0  0  0
    4.4693    3.3550   -0.6165 C   0  0  0  0  0
    5.1521    2.2798   -1.2026 C   0  0  0  0  0
    4.6237    0.9849   -1.1542 C   0  0  0  0  0
    3.4154    0.7846   -0.5081 C   0  0  0  0  0
    2.6967   -0.4164   -0.3060 N   0  0  0  0  0
    2.9832   -1.6265   -0.9294 C   0  0  0  0  0
    3.8700   -1.7669   -1.7805 O   0  0  0  0  0
    2.1441   -2.8413   -0.5105 C   0  0  0  0  0
    1.5524   -3.5212   -1.6561 N   0  0  0  0  0
    0.4643   -2.9201   -2.2851 C   0  0  0  0  0
    0.0716   -1.7968   -1.9736 O   0  0  0  0  0
   -0.2210   -3.7207   -3.3519 C   0  0  0  0  0
    0.3129   -4.8956   -3.6975 C   0  0  0  0  0
    1.4666   -5.3885   -2.9379 C   0  0  0  0  0
    2.0406   -4.7693   -1.9604 N   0  0  0  0  0
   -0.3060   -5.9107   -4.9361 Cl  0  0  0  0  0
   -1.3251   -3.2243   -4.0433 O   0  0  0  0  0
   -2.3219   -2.5541   -3.3769 C   0  0  0  0  0
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   -2.7886   -2.9012   -2.1092 C   0  0  0  0  0
   -5.3786   -0.4212   -1.5147 O   0  0  0  0  0
   -5.7392    0.8636   -2.0101 C   0  0  0  0  0
    1.9275   -1.7162    2.0488 H   0  0  0  0  0
    0.9522   -0.3830    2.6718 H   0  0  0  0  0
    2.7034   -0.1919    2.4631 H   0  0  0  0  0
    0.6370   -0.5519    0.2115 H   0  0  0  0  0
    1.2317    1.8353    1.6225 H   0  0  0  0  0
    0.6187    1.7523   -0.0544 H   0  0  0  0  0
    2.7036    3.9841    0.4549 H   0  0  0  0  0
    4.8930    4.3549   -0.6689 H   0  0  0  0  0
    6.1021    2.4521   -1.7029 H   0  0  0  0  0
    5.1724    0.1685   -1.6104 H   0  0  0  0  0
    1.3265   -2.5913    0.1634 H   0  0  0  0  0
    2.8088   -3.5318    0.0223 H   0  0  0  0  0
    1.8494   -6.3826   -3.2230 H   0  0  0  0  0
   -2.5926   -1.2642   -5.0803 H   0  0  0  0  0
   -4.4085    0.0293   -4.0704 H   0  0  0  0  0
   -4.1654   -2.4087   -0.5251 H   0  0  0  0  0
   -2.3627   -3.7324   -1.5574 H   0  0  0  0  0
   -6.4131    1.3261   -1.2825 H   0  0  0  0  0
   -6.2795    0.7811   -2.9585 H   0  0  0  0  0
   -4.8624    1.5130   -2.1104 H   0  0  0  0  0
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  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2 10  1  0  0  0
  2  3  1  0  0  0
  2 34  1  0  0  0
  3  4  1  0  0  0
  3 35  1  0  0  0
  3 36  1  0  0  0
  4  9  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 37  1  0  0  0
  6  7  2  0  0  0
  6 38  1  0  0  0
  7  8  1  0  0  0
  7 39  1  0  0  0
  8  9  2  0  0  0
  8 40  1  0  0  0
  9 10  1  0  0  0
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 22 23  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1968640

>  <PubChem CID>
53364424

>  <Formula>
C22H20ClN3O4

>  <Molecular Weight>
425.869000

>  <IUPAC Name>
5-chloro-4-(4-methoxyphenoxy)-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]pyridazin-3-one

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1CC2=CC=CC=C2N1C(=O)CN3C(=O)C(=C(C=N3)Cl)OC4=CC=C(C=C4)OC

>  <Isomeric SMILES>
CC1CC2=CC=CC=C2N1C(=O)CN3C(=O)C(=C(C=N3)Cl)OC4=CC=C(C=C4)OC

>  <InChI Std. ID>
InChI=1S/C22H20ClN3O4/c1-14-11-15-5-3-4-6-19(15)26(14)20(27)13-25-22(28)21(18(23)12-24-25)30-17-9-7-16(29-2)8-10-17/h3-10,12,14H,11,13H2,1-2H3

>  <InChI Key>
AMWDDIDHDMAFOT-UHFFFAOYSA-N

