
 CHEMBL3325849

 54 56  0  0  0  0  0  0  0  0999 V2000
    5.4996   -1.3833   -3.4040 C   0  0  0  0  0
    5.9868   -1.6310   -2.0058 C   0  0  0  0  0
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   10.0063   -3.2665   -1.2093 O   0  0  0  0  0
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    2.3019    0.8446   -0.5177 C   0  0  0  0  0
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    1.0707   -0.0940    1.3187 N   0  0  0  0  0
    2.0644   -0.9811    1.4451 C   0  0  0  0  0
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   -0.7273    6.4528   -2.8384 F   0  0  0  0  0
    2.4168    1.7494   -1.4997 F   0  0  0  0  0
    6.1675   -1.8506   -4.1347 H   0  0  0  0  0
    5.4794   -0.3092   -3.6184 H   0  0  0  0  0
    4.4967   -1.7993   -3.5385 H   0  0  0  0  0
    5.6063   -0.6158    1.2166 H   0  0  0  0  0
    7.4980   -2.1928    1.4829 H   0  0  0  0  0
    7.3787   -5.6190   -0.9316 H   0  0  0  0  0
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   -2.8728    1.2531   -2.2647 H   0  0  0  0  0
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  1 34  1  0  0  0
  1 35  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 12  1  0  0  0
  4  5  2  0  0  0
  4 36  1  0  0  0
  5  6  1  0  0  0
  5 37  1  0  0  0
  6  7  2  0  0  0
  6  8  1  0  0  0
  8 11  1  0  0  0
  8 10  2  0  0  0
  8  9  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3325849

>  <PubChem CID>
118711216

>  <Formula>
C19H22F2N4O6S

>  <Molecular Weight>
472.464000

>  <IUPAC Name>
1-fluoroethyl 4-[5-fluoro-6-(2-methyl-6-methylsulfonylpyridin-3-yl)oxypyrimidin-4-yl]oxypiperidine-1-carboxylate

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
11

>  <Canonical SMILES>
CC1=C(C=CC(=N1)S(=O)(=O)C)OC2=C(C(=NC=N2)OC3CCN(CC3)C(=O)OC(C)F)F

>  <Isomeric SMILES>
CC1=C(C=CC(=N1)S(=O)(=O)C)OC2=C(C(=NC=N2)OC3CCN(CC3)C(=O)OC(C)F)F

>  <InChI Std. ID>
InChI=1S/C19H22F2N4O6S/c1-11-14(4-5-15(24-11)32(3,27)28)31-18-16(21)17(22-10-23-18)30-13-6-8-25(9-7-13)19(26)29-12(2)20/h4-5,10,12-13H,6-9H2,1-3H3

>  <InChI Key>
ATSAXEGMADWFEV-UHFFFAOYSA-N

