
 CHEMBL3325842

 58 60  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3325842

>  <PubChem CID>
118711210

>  <Formula>
C20H26FN5O5S

>  <Molecular Weight>
467.516000

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

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
10

>  <Canonical SMILES>
CC1=C(C=CC(=N1)S(=O)(=O)C)NC2=C(C(=NC=N2)OC3CCN(CC3)C(=O)OC(C)C)F

>  <Isomeric SMILES>
CC1=C(C=CC(=N1)S(=O)(=O)C)NC2=C(C(=NC=N2)OC3CCN(CC3)C(=O)OC(C)C)F

>  <InChI Std. ID>
InChI=1S/C20H26FN5O5S/c1-12(2)30-20(27)26-9-7-14(8-10-26)31-19-17(21)18(22-11-23-19)25-15-5-6-16(24-13(15)3)32(4,28)29/h5-6,11-12,14H,7-10H2,1-4H3,(H,22,23,25)

>  <InChI Key>
TUMNPBPSVJSXSL-UHFFFAOYSA-N

