
 CHEMBL3326686

 61 64  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3326686

>  <PubChem CID>
118711795

>  <Formula>
C22H24F2N6O6S

>  <Molecular Weight>
538.527000

>  <IUPAC Name>
[4-[5-fluoro-6-(2-methyl-6-methylsulfonylpyridin-3-yl)oxypyrimidin-4-yl]oxypiperidin-1-yl]-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]methanone

>  <XlogP>
2.4

>  <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)C4=NOC(=N4)C(C)(C)F)F

>  <Isomeric SMILES>
CC1=C(C=CC(=N1)S(=O)(=O)C)OC2=C(C(=NC=N2)OC3CCN(CC3)C(=O)C4=NOC(=N4)C(C)(C)F)F

>  <InChI Std. ID>
InChI=1S/C22H24F2N6O6S/c1-12-14(5-6-15(27-12)37(4,32)33)35-19-16(23)18(25-11-26-19)34-13-7-9-30(10-8-13)20(31)17-28-21(36-29-17)22(2,3)24/h5-6,11,13H,7-10H2,1-4H3

>  <InChI Key>
XAQQVIWLJYOLFK-UHFFFAOYSA-N

