PDB CCD ID: | 0BK | ||||||||||||
Number of entries in BioLiP: | 1 | ||||||||||||
Chemical formula: | C20 H23 F2 N5 O4 S | ||||||||||||
InChI: | InChI=1S/C20H23F2N5O4S/c1-19(32(3,29)30)6-7-20(10-21,27-18(19)23)13-8-12(4-5-14(13)22)26-17(28)15-9-16(31-2)25-11-24-15/h4-5,8-9,11H,6-7,10H2,1-3H3,(H2,23,27)(H,26,28)/t19-,20-/m1/s1 | ||||||||||||
InChIKey: | XXQXCRMADCRFEB-WOJBJXKFSA-N | ||||||||||||
SMILES: |
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Name: | N-{3-[(2S,5R)-6-amino-2-(fluoromethyl)-5-(methanesulfonyl)-5-methyl-2,3,4,5-tetrahydropyridin-2-yl]-4-fluorophenyl}-6-methoxypyrimidine-4-carboxamide | ||||||||||||
ChEMBL: | CHEMBL5082356 |