
 CHEMBL1951018

 51 53  0  0  0  0  0  0  0  0999 V2000
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    3.7060    0.7380   -2.0301 N   0  0  0  0  0
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    2.6266   -2.9818   -0.7220 O   0  0  0  0  0
    1.3555   -3.0086   -0.0477 C   0  0  0  0  0
    0.1958   -2.7760   -1.0275 C   0  0  0  0  0
    0.1106   -3.8950   -2.0568 C   0  0  0  0  0
    0.0055   -5.1918   -1.4067 N   0  0  0  0  0
    1.0324   -5.5026   -0.4155 C   0  0  0  0  0
    1.1969   -4.3847    0.6102 C   0  0  0  0  0
   -0.7557   -6.1748   -2.0214 C   0  0  0  0  0
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   -0.7196   -7.3508   -1.3385 O   0  0  0  0  0
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    5.2557   -0.2220   -3.5254 O   0  0  0  0  0
    5.8059    1.0196   -3.7242 C   0  0  0  0  0
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    6.2859    1.8353   -2.7005 C   0  0  0  0  0
    6.7377    3.1245   -6.5192 F   0  0  0  0  0
    4.1378   -3.7831   -2.4847 H   0  0  0  0  0
    5.6848   -2.9381   -2.3024 H   0  0  0  0  0
    4.7281   -2.7794   -3.7978 H   0  0  0  0  0
    2.3221    1.4113   -0.6496 H   0  0  0  0  0
    1.3377   -2.2664    0.7606 H   0  0  0  0  0
    0.3026   -1.8246   -1.5585 H   0  0  0  0  0
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    2.0670   -4.6060    1.2396 H   0  0  0  0  0
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    0.1375   -9.8123   -1.4362 H   0  0  0  0  0
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   -3.1204   -8.1356   -0.4980 H   0  0  0  0  0
   -3.5344   -9.1486   -1.9027 H   0  0  0  0  0
   -3.3734   -7.3930   -2.0687 H   0  0  0  0  0
    5.6449    0.8410   -5.8733 H   0  0  0  0  0
    7.4593    4.4069   -4.3425 H   0  0  0  0  0
    6.2144    1.5375   -1.6578 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  7  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 21  1  0  0  0
  4  5  2  0  0  0
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  5 32  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  9 14  1  0  0  0
  9 10  1  0  0  0
  9 33  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1951018

>  <PubChem CID>
57397675

>  <Formula>
C19H23FN4O4

>  <Molecular Weight>
390.415000

>  <IUPAC Name>
propan-2-yl 4-[6-(5-fluoropyridin-3-yl)oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC1=C(N=CN=C1OC2CCN(CC2)C(=O)OC(C)C)OC3=CC(=CN=C3)F

>  <Isomeric SMILES>
CC1=C(N=CN=C1OC2CCN(CC2)C(=O)OC(C)C)OC3=CC(=CN=C3)F

>  <InChI Std. ID>
InChI=1S/C19H23FN4O4/c1-12(2)26-19(25)24-6-4-15(5-7-24)27-17-13(3)18(23-11-22-17)28-16-8-14(20)9-21-10-16/h8-12,15H,4-7H2,1-3H3

>  <InChI Key>
ZUWGPGNNDQQCAD-UHFFFAOYSA-N

