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CHEBI:39946 - (2R)-1-(dimethylamino)-3-{4-[(6-{[2-fluoro-5-(trifluoromethyl)phenyl]amino}pyrimidin-4-yl)amino]phenoxy}propan-2-ol

ChEBI IDCHEBI:39946
ChEBI Name(2R)-1-(dimethylamino)-3-{4-[(6-{[2-fluoro-5-(trifluoromethyl)phenyl]amino}pyrimidin-4-yl)amino]phenoxy}propan-2-ol
Stars
ASCII Name(2R)-1-(dimethylamino)-3-{4-[(6-{[2-fluoro-5-(trifluoromethyl)phenyl]amino}pyrimidin-4-yl)amino]phenoxy}propan-2-ol
Last Modified30 January 2008
DownloadsMolfile
FormulaC22H23F4N5O2
Net Charge0
Average Mass465.451
Monoisotopic Mass465.17879
SMILES[H]O[C@@]([H])(C([H])([H])Oc1c([H])c([H])c(N([H])c2nc([H])nc(N([H])c3c([H])c(C(F)(F)F)c([H])c([H])c3F)c2[H])c([H])c1[H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H]
InChIInChI=1S/C22H23F4N5O2/c1-31(2)11-16(32)12-33-17-6-4-15(5-7-17)29-20-10-21(28-13-27-20)30-19-9-14(22(24,25)26)3-8-18(19)23/h3-10,13,16,32H,11-12H2,1-2H3,(H2,27,28,29,30)/t16-/m1/s1
InChIKeyOSCWQKTUILTARV-MRXNPFEDSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R)-1-(dimethylamino)-3-{4-[(6-{[2-fluoro-5-(trifluoromethyl)phenyl]amino}pyrimidin-4-yl)amino]phenoxy}propan-2-ol (CHEBI:39946) is a aminopyrimidine (CHEBI:38338)
(2R)-1-(dimethylamino)-3-{4-[(6-{[2-fluoro-5-(trifluoromethyl)phenyl]amino}pyrimidin-4-yl)amino]phenoxy}propan-2-ol (CHEBI:39946) is a organofluorine compound (CHEBI:37143)
Synonym  Source
(2R)-1-(dimethylamino)-3-{4-[(6-{[2-fluoro-5-(trifluoromethyl)phenyl]amino}pyrimidin-4-yl)amino]phenoxy}propan-2-olPDBeChem
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3FPPDBeChem