
 CHEMBL1950740

 55 58  0  0  0  0  0  0  0  0999 V2000
    0.5836    2.1555    2.3772 C   0  0  0  0  0
    0.6395    3.2970    1.3623 C   0  0  0  0  0
    0.5017    4.6563    2.0470 C   0  0  0  0  0
    1.8633    3.2343    0.5498 N   0  0  0  0  0
    1.7649    3.1988   -0.8367 C   0  0  0  0  0
    0.7185    3.2053   -1.4801 O   0  0  0  0  0
    3.0417    3.1266   -1.5733 C   0  0  0  0  0
    4.2093    3.1465   -0.9320 C   0  0  0  0  0
    4.1650    3.2558    0.5434 C   0  0  0  0  0
    3.0672    3.2776    1.2342 N   0  0  0  0  0
    5.4718    3.3102    1.2497 C   0  0  0  0  0
    6.5840    3.9373    0.6997 C   0  0  0  0  0
    7.8022    3.9839    1.2896 N   0  0  0  0  0
    7.9162    3.3971    2.4997 C   0  0  0  0  0
    6.8665    2.7612    3.1414 C   0  0  0  0  0
    5.6195    2.7294    2.5127 C   0  0  0  0  0
    9.1481    3.3705    3.1266 O   0  0  0  0  0
   10.0190    4.4521    2.7305 C   0  0  0  0  0
   10.8445    4.8481    3.9571 C   0  0  0  0  0
   11.9655    3.8526    4.2618 C   0  0  0  0  0
   12.8438    3.7281    3.0860 N   0  0  0  0  0
   12.0550    3.1087    2.0000 C   0  0  0  0  0
   10.9227    4.0376    1.5671 C   0  0  0  0  0
   14.0174    2.8727    3.3754 C   0  0  0  0  0
   15.1212    3.1707    2.3116 C   0  0  0  0  0
   15.6699    4.2681    3.2435 C   0  0  0  0  0
   14.9809    3.5309    4.4042 C   0  0  0  0  0
    0.6800    1.1873    1.8736 H   0  0  0  0  0
   -0.3697    2.1631    2.9158 H   0  0  0  0  0
    1.3891    2.2293    3.1152 H   0  0  0  0  0
   -0.2257    3.1792    0.6986 H   0  0  0  0  0
    1.3157    4.8336    2.7579 H   0  0  0  0  0
   -0.4450    4.7209    2.5937 H   0  0  0  0  0
    0.5223    5.4655    1.3091 H   0  0  0  0  0
    2.9697    3.0408   -2.6495 H   0  0  0  0  0
    5.1439    3.0538   -1.4666 H   0  0  0  0  0
    6.5423    4.4531   -0.2550 H   0  0  0  0  0
    7.0100    2.3040    4.1147 H   0  0  0  0  0
    4.7769    2.2460    3.0001 H   0  0  0  0  0
    9.4260    5.3323    2.4533 H   0  0  0  0  0
   10.1958    4.9308    4.8377 H   0  0  0  0  0
   11.2872    5.8377    3.7839 H   0  0  0  0  0
   12.5086    4.2448    5.1263 H   0  0  0  0  0
   11.5532    2.8801    4.5615 H   0  0  0  0  0
   12.6817    2.9212    1.1208 H   0  0  0  0  0
   11.6510    2.1349    2.3088 H   0  0  0  0  0
   11.3579    4.9397    1.1190 H   0  0  0  0  0
   10.3469    3.5336    0.7828 H   0  0  0  0  0
   13.7999    1.8145    3.5530 H   0  0  0  0  0
   14.8204    3.5224    1.3208 H   0  0  0  0  0
   15.8219    2.3376    2.1745 H   0  0  0  0  0
   16.7587    4.3409    3.3065 H   0  0  0  0  0
   15.2604    5.2663    3.0491 H   0  0  0  0  0
   15.6404    2.7976    4.8877 H   0  0  0  0  0
   14.5831    4.1745    5.1907 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 31  1  0  0  0
  3 32  1  0  0  0
  3 33  1  0  0  0
  3 34  1  0  0  0
  4  5  1  0  0  0
  4 10  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
  8 36  1  0  0  0
  9 10  2  0  0  0
  9 11  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 37  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 17  1  0  0  0
 15 16  2  0  0  0
 15 38  1  0  0  0
 16 39  1  0  0  0
 17 18  1  0  0  0
 18 23  1  0  0  0
 18 19  1  0  0  0
 18 40  1  0  0  0
 19 20  1  0  0  0
 19 41  1  0  0  0
 19 42  1  0  0  0
 20 21  1  0  0  0
 20 43  1  0  0  0
 20 44  1  0  0  0
 21 22  1  0  0  0
 21 24  1  0  0  0
 22 23  1  0  0  0
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 22 46  1  0  0  0
 23 47  1  0  0  0
 23 48  1  0  0  0
 24 27  1  0  0  0
 24 25  1  0  0  0
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 27 55  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1950740

>  <PubChem CID>
24992853

>  <Formula>
C21H28N4O2

>  <Molecular Weight>
368.481000

>  <IUPAC Name>
6-[6-(1-cyclobutylpiperidin-4-yl)oxypyridin-3-yl]-2-propan-2-ylpyridazin-3-one

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(C)N1C(=O)C=CC(=N1)C2=CN=C(C=C2)OC3CCN(CC3)C4CCC4

>  <Isomeric SMILES>
CC(C)N1C(=O)C=CC(=N1)C2=CN=C(C=C2)OC3CCN(CC3)C4CCC4

>  <InChI Std. ID>
InChI=1S/C21H28N4O2/c1-15(2)25-21(26)9-7-19(23-25)16-6-8-20(22-14-16)27-18-10-12-24(13-11-18)17-4-3-5-17/h6-9,14-15,17-18H,3-5,10-13H2,1-2H3

>  <InChI Key>
AZFRDBSLRWKFPY-UHFFFAOYSA-N

