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CHEBI:100100 - (2S,3S,3aR,9bR)-1-acetyl-N-[3-(dimethylamino)propyl]-7-(3-fluorophenyl)-3-(hydroxymethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide

ChEBI IDCHEBI:100100
ChEBI Name(2S,3S,3aR,9bR)-1-acetyl-N-[3-(dimethylamino)propyl]-7-(3-fluorophenyl)-3-(hydroxymethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
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DownloadsMolfile
FormulaC25H31FN4O4
Net Charge0
Average Mass470.545
Monoisotopic Mass470.23293
SMILESCC(=O)N1[C@H](C(=O)NCCCN(C)C)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@@H]21
InChIInChI=1S/C25H31FN4O4/c1-15(32)30-22-19(20(14-31)23(30)24(33)27-10-5-11-28(2)3)13-29-21(22)9-8-18(25(29)34)16-6-4-7-17(26)12-16/h4,6-9,12,19-20,22-23,31H,5,10-11,13-14H2,1-3H3,(H,27,33)/t19-,20-,22+,23-/m0/s1
InChIKeyKVNOQKWAHHZEJM-RLBLXZPPSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S,3aR,9bR)-1-acetyl-N-[3-(dimethylamino)propyl]-7-(3-fluorophenyl)-3-(hydroxymethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide (CHEBI:100100) is a phenylpyridine (CHEBI:38193)
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