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CHEBI:123012 - 1-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-[4-(trifluoromethyl)phenyl]urea

ChEBI IDCHEBI:123012
ChEBI Name1-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-[4-(trifluoromethyl)phenyl]urea
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DownloadsMolfile
FormulaC27H31F3N4O5
Net Charge0
Average Mass548.562
Monoisotopic Mass548.22465
SMILESCN1CCN(C(=O)C[C@@H]2C[C@H]3c4cc(NC(=O)Nc5ccc(C(F)(F)F)cc5)ccc4O[C@H]3[C@@H](CO)O2)CC1
InChIInChI=1S/C27H31F3N4O5/c1-33-8-10-34(11-9-33)24(36)14-19-13-21-20-12-18(6-7-22(20)39-25(21)23(15-35)38-19)32-26(37)31-17-4-2-16(3-5-17)27(28,29)30/h2-7,12,19,21,23,25,35H,8-11,13-15H2,1H3,(H2,31,32,37)/t19-,21-,23+,25+/m0/s1
InChIKeyCWTFRDOIHJRUHI-FEGXGRLVSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-[4-(trifluoromethyl)phenyl]urea (CHEBI:123012) is a ureas (CHEBI:47857)
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