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CHEBI:124944 - (3aS,4R,9bR)-N-(2,5-difluorophenyl)-4-(hydroxymethyl)-5-methyl-8-[2-(3-pyridinyl)ethynyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide

ChEBI IDCHEBI:124944
ChEBI Name(3aS,4R,9bR)-N-(2,5-difluorophenyl)-4-(hydroxymethyl)-5-methyl-8-[2-(3-pyridinyl)ethynyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide
Stars
DownloadsMolfile
FormulaC27H24F2N4O2
Net Charge0
Average Mass474.511
Monoisotopic Mass474.18673
SMILESCN1c2ccc(C#Cc3cccnc3)cc2[C@H]2[C@H](CCN2C(=O)Nc2cc(F)ccc2F)[C@@H]1CO
InChIInChI=1S/C27H24F2N4O2/c1-32-24-9-6-17(4-5-18-3-2-11-30-15-18)13-21(24)26-20(25(32)16-34)10-12-33(26)27(35)31-23-14-19(28)7-8-22(23)29/h2-3,6-9,11,13-15,20,25-26,34H,10,12,16H2,1H3,(H,31,35)/t20-,25+,26-/m1/s1
InChIKeyLEIVAVATBPHLGA-RFLWCCGPSA-N
ChEBI Ontology
Outgoing Relation(s)
(3aS,4R,9bR)-N-(2,5-difluorophenyl)-4-(hydroxymethyl)-5-methyl-8-[2-(3-pyridinyl)ethynyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide (CHEBI:124944) is a pyrroloquinoline (CHEBI:50918)
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