
 CHEMBL3326670

 61 64  0  0  0  0  0  0  0  0999 V2000
    4.3366   -0.6285   -1.0978 C   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3326670

>  <PubChem CID>
118711778

>  <Formula>
C22H24F4N4O6S

>  <Molecular Weight>
548.510000

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

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
13

>  <Canonical SMILES>
CC1=C(C=CC(=N1)S(=O)(=O)C)OC2=C(C(=NC=N2)OC3CCN(CC3)C(=O)OC4(CCC4)C(F)(F)F)F

>  <Isomeric SMILES>
CC1=C(C=CC(=N1)S(=O)(=O)C)OC2=C(C(=NC=N2)OC3CCN(CC3)C(=O)OC4(CCC4)C(F)(F)F)F

>  <InChI Std. ID>
InChI=1S/C22H24F4N4O6S/c1-13-15(4-5-16(29-13)37(2,32)33)35-19-17(23)18(27-12-28-19)34-14-6-10-30(11-7-14)20(31)36-21(8-3-9-21)22(24,25)26/h4-5,12,14H,3,6-11H2,1-2H3

>  <InChI Key>
WXSAQQXPZAGYLD-UHFFFAOYSA-N

