
 CHEMBL1950743

 55 58  0  0  0  0  0  0  0  0999 V2000
    0.7495    1.6656   -1.7136 C   0  0  0  0  0
    2.1181    1.1416   -1.2597 C   0  0  0  0  0
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    3.0919    2.2965   -1.0747 C   0  0  0  0  0
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    4.0819   -2.2665   -3.3378 C   0  0  0  0  0
    4.5434   -3.5681   -3.5585 C   0  0  0  0  0
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    5.2240   -7.7693   -1.2872 C   0  0  0  0  0
    5.7410   -8.8679   -2.1202 N   0  0  0  0  0
    6.3328   -8.3370   -3.3581 C   0  0  0  0  0
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    7.0127  -11.0060   -2.1587 C   0  0  0  0  0
    1.9560    0.4095    0.0835 C   0  0  0  0  0
    0.8350    2.2473   -2.6388 H   0  0  0  0  0
    0.3015    2.3213   -0.9585 H   0  0  0  0  0
    0.0516    0.8414   -1.8966 H   0  0  0  0  0
    2.6951    0.6941   -3.3111 H   0  0  0  0  0
    2.0807   -0.6983   -2.3985 H   0  0  0  0  0
    5.0950    2.6864   -0.9046 H   0  0  0  0  0
    3.2983   -1.8767   -3.9808 H   0  0  0  0  0
    4.1025   -4.1667   -4.3532 H   0  0  0  0  0
    6.9248   -3.7066   -1.1259 H   0  0  0  0  0
    6.1248   -1.4414   -0.7435 H   0  0  0  0  0
    7.7047   -5.4448   -2.0675 H   0  0  0  0  0
    5.7245   -5.8636   -0.4445 H   0  0  0  0  0
    7.0331   -7.0348   -0.3498 H   0  0  0  0  0
    4.8350   -8.1550   -0.3373 H   0  0  0  0  0
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    5.5198   -7.9262   -3.9717 H   0  0  0  0  0
    8.2757   -7.6900   -2.6602 H   0  0  0  0  0
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    4.8350  -10.8142   -0.6693 H   0  0  0  0  0
    5.9330  -10.3645    0.6591 H   0  0  0  0  0
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    6.2897  -11.3002   -2.9304 H   0  0  0  0  0
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    1.2910   -0.4551   -0.0163 H   0  0  0  0  0
    1.5296    1.0760    0.8424 H   0  0  0  0  0
  1  2  1  0  0  0
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  1 28  1  0  0  0
  1 29  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  3  4  1  0  0  0
  3 30  1  0  0  0
  3 31  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  6 32  1  0  0  0
  7  8  2  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1950743

>  <PubChem CID>
24993178

>  <Formula>
C21H29N3O2

>  <Molecular Weight>
355.482000

>  <IUPAC Name>
3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-5,5-dimethyl-1,4-dihydropyridazin-6-one

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1(CC(=NNC1=O)C2=CC=C(C=C2)OC3CCN(CC3)C4CCC4)C

>  <Isomeric SMILES>
CC1(CC(=NNC1=O)C2=CC=C(C=C2)OC3CCN(CC3)C4CCC4)C

>  <InChI Std. ID>
InChI=1S/C21H29N3O2/c1-21(2)14-19(22-23-20(21)25)15-6-8-17(9-7-15)26-18-10-12-24(13-11-18)16-4-3-5-16/h6-9,16,18H,3-5,10-14H2,1-2H3,(H,23,25)

>  <InChI Key>
AUNMHWAGSWQKHU-UHFFFAOYSA-N

