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CHEBI:39956 - N-[3-([4,5'-bipyrimidin]-2-ylamino)-4-methylphenyl]-4-{[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl}-3-(trifluoromethyl)benzamide

ChEBI IDCHEBI:39956
ChEBI NameN-[3-([4,5'-bipyrimidin]-2-ylamino)-4-methylphenyl]-4-{[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl}-3-(trifluoromethyl)benzamide
Stars
ASCII NameN-[3-([4,5'-bipyrimidin]-2-ylamino)-4-methylphenyl]-4-{[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl}-3-(trifluoromethyl)benzamide
Last Modified17 October 2009
DownloadsMolfile
FormulaC30H31F3N8O
Net Charge0
Average Mass576.627
Monoisotopic Mass576.25729
SMILES[H]c1nc([H])c(-c2nc(N([H])c3c([H])c(N([H])C(=O)c4c([H])c([H])c(C([H])([H])N5C([H])([H])C([H])([H])[C@]([H])(N(C([H])([H])[H])C([H])([H])[H])C5([H])[H])c(C(F)(F)F)c4[H])c([H])c([H])c3C([H])([H])[H])nc([H])c2[H])c([H])n1
InChIInChI=1S/C30H31F3N8O/c1-19-4-7-23(13-27(19)39-29-36-10-8-26(38-29)22-14-34-18-35-15-22)37-28(42)20-5-6-21(25(12-20)30(31,32)33)16-41-11-9-24(17-41)40(2)3/h4-8,10,12-15,18,24H,9,11,16-17H2,1-3H3,(H,37,42)(H,36,38,39)/t24-/m0/s1
InChIKeyZGBAJMQHJDFTQJ-DEOSSOPVSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[3-([4,5'-bipyrimidin]-2-ylamino)-4-methylphenyl]-4-{[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl}-3-(trifluoromethyl)benzamide (CHEBI:39956) is a N-alkylpyrrolidine (CHEBI:46775)
N-[3-([4,5'-bipyrimidin]-2-ylamino)-4-methylphenyl]-4-{[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl}-3-(trifluoromethyl)benzamide (CHEBI:39956) is a aminopyrimidine (CHEBI:38338)
N-[3-([4,5'-bipyrimidin]-2-ylamino)-4-methylphenyl]-4-{[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl}-3-(trifluoromethyl)benzamide (CHEBI:39956) is a aminopyrrolidine (CHEBI:46769)
N-[3-([4,5'-bipyrimidin]-2-ylamino)-4-methylphenyl]-4-{[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl}-3-(trifluoromethyl)benzamide (CHEBI:39956) is a benzamides (CHEBI:22702)
N-[3-([4,5'-bipyrimidin]-2-ylamino)-4-methylphenyl]-4-{[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl}-3-(trifluoromethyl)benzamide (CHEBI:39956) is a organofluorine compound (CHEBI:37143)
N-[3-([4,5'-bipyrimidin]-2-ylamino)-4-methylphenyl]-4-{[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl}-3-(trifluoromethyl)benzamide (CHEBI:39956) is a ring assembly (CHEBI:36820)
Synonyms  Source
N-[3-(4,5'-BIPYRIMIDIN-2-YLAMINO)-4-METHYLPHENYL]-4-{[(3S)-3-(DIMETHYLAMINO)PYRROLIDIN-1-YL]METHYL}-3-(TRIFLUOROMETHYL)BENZAMIDEPDBeChem
N-[3-(4,5'-bipyrimidin-2-ylamino)-4-methylphenyl]-4-{[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl}-3-(trifluoromethyl)benzamidePDBeChem
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