
 CHEMBL3700332

 53 56  0  0  0  0  0  0  0  0999 V2000
   -1.5035   -0.4017    2.1161 C   0  0  0  0  0
   -0.0100   -0.7488    1.9671 C   0  0  0  0  0
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   -0.4786   -1.6122   -0.2991 N   0  0  0  0  0
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    1.5544   -2.9857   -1.0268 C   0  0  0  0  0
    0.6830   -3.9883   -1.6336 N   0  0  0  0  0
   -0.7183   -3.9746   -1.2213 C   0  0  0  0  0
   -1.2913   -2.5544   -1.1000 C   0  0  0  0  0
    1.2773   -5.1437   -2.1112 C   0  0  0  0  0
    2.4891   -5.3029   -2.2028 O   0  0  0  0  0
    0.3626   -6.0818   -2.4897 O   0  0  0  0  0
    0.8885   -7.3043   -3.0396 C   0  0  0  0  0
   -0.2226   -8.3574   -3.0015 C   0  0  0  0  0
   -1.3372   -8.0643   -4.0081 C   0  0  0  0  0
   -0.7593   -7.8674   -5.3471 N   0  0  0  0  0
    0.1950   -6.7600   -5.3939 C   0  0  0  0  0
    1.3686   -7.0852   -4.4778 C   0  0  0  0  0
   -1.3569   -8.4350   -6.4736 C   0  0  0  0  0
   -2.4816   -9.0964   -6.3299 N   0  0  0  0  0
   -3.0647   -9.6562   -7.4270 N   0  0  0  0  0
   -2.5919   -9.5958   -8.7076 C   0  0  0  0  0
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   -0.7218   -8.3280   -7.8242 C   0  0  0  0  0
   -1.8136   -0.0435    3.1009 H   0  0  0  0  0
   -1.8795    0.2888    1.3527 H   0  0  0  0  0
    0.4652   -1.0126    2.9204 H   0  0  0  0  0
    0.5976    0.0268    1.4928 H   0  0  0  0  0
    0.1218   -2.9148    1.3663 H   0  0  0  0  0
   -2.7184   -2.0606    1.2428 H   0  0  0  0  0
   -1.8745   -2.4897    2.7292 H   0  0  0  0  0
    1.5541   -0.9447   -0.3042 H   0  0  0  0  0
    0.8216   -1.1439   -1.8724 H   0  0  0  0  0
    2.4635   -2.8850   -1.6321 H   0  0  0  0  0
    1.8644   -3.3722   -0.0490 H   0  0  0  0  0
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   -1.3764   -2.1323   -2.1112 H   0  0  0  0  0
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    1.7154   -7.6536   -2.4090 H   0  0  0  0  0
   -0.6589   -8.4084   -1.9970 H   0  0  0  0  0
    0.2096   -9.3407   -3.2259 H   0  0  0  0  0
   -2.0393   -8.9050   -3.9792 H   0  0  0  0  0
   -1.8996   -7.1692   -3.7160 H   0  0  0  0  0
    0.5817   -6.5643   -6.3956 H   0  0  0  0  0
   -0.3022   -5.8339   -5.0786 H   0  0  0  0  0
    1.8732   -7.9922   -4.8337 H   0  0  0  0  0
    2.0920   -6.2655   -4.5320 H   0  0  0  0  0
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   -0.9097   -8.8398   -9.8780 H   0  0  0  0  0
    0.2314   -7.8371   -7.9378 H   0  0  0  0  0
  1  4  1  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  2 30  1  0  0  0
  3  4  1  0  0  0
  3  5  1  0  0  0
  3 31  1  0  0  0
  4 32  1  0  0  0
  4 33  1  0  0  0
  5 10  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  6 34  1  0  0  0
  6 35  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 11  1  0  0  0
  9 10  1  0  0  0
  9 38  1  0  0  0
  9 39  1  0  0  0
 10 40  1  0  0  0
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 11 13  1  0  0  0
 11 12  2  0  0  0
 13 14  1  0  0  0
 14 19  1  0  0  0
 14 15  1  0  0  0
 14 42  1  0  0  0
 15 16  1  0  0  0
 15 43  1  0  0  0
 15 44  1  0  0  0
 16 17  1  0  0  0
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 26 53  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3700332

>  <PubChem CID>
72948212

>  <Formula>
C18H27N5O3

>  <Molecular Weight>
361.446000

>  <IUPAC Name>
[1-(6-oxo-1H-pyridazin-3-yl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate

>  <XlogP>
0.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CC(C1)N2CCN(CC2)C(=O)OC3CCN(CC3)C4=NNC(=O)C=C4

>  <Isomeric SMILES>
C1CC(C1)N2CCN(CC2)C(=O)OC3CCN(CC3)C4=NNC(=O)C=C4

>  <InChI Std. ID>
InChI=1S/C18H27N5O3/c24-17-5-4-16(19-20-17)22-8-6-15(7-9-22)26-18(25)23-12-10-21(11-13-23)14-2-1-3-14/h4-5,14-15H,1-3,6-13H2,(H,20,24)

>  <InChI Key>
AKBDWSBBADJJLP-UHFFFAOYSA-N

