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CHEBI:124946 - (3aS,4S,9bR)-4-(hydroxymethyl)-8-[2-(4-methoxyphenyl)ethynyl]-5-methyl-N-[4-(trifluoromethyl)phenyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide

ChEBI IDCHEBI:124946
ChEBI Name(3aS,4S,9bR)-4-(hydroxymethyl)-8-[2-(4-methoxyphenyl)ethynyl]-5-methyl-N-[4-(trifluoromethyl)phenyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide
Stars
DownloadsMolfile
FormulaC30H28F3N3O3
Net Charge0
Average Mass535.566
Monoisotopic Mass535.20828
SMILESCOc1ccc(C#Cc2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H](CO)N3C)cc1
InChIInChI=1S/C30H28F3N3O3/c1-35-26-14-7-20(4-3-19-5-12-23(39-2)13-6-19)17-25(26)28-24(27(35)18-37)15-16-36(28)29(38)34-22-10-8-21(9-11-22)30(31,32)33/h5-14,17,24,27-28,37H,15-16,18H2,1-2H3,(H,34,38)/t24-,27-,28-/m1/s1
InChIKeyYNQWKSZELRAZNO-RYRVMRHHSA-N
ChEBI Ontology
Outgoing Relation(s)
(3aS,4S,9bR)-4-(hydroxymethyl)-8-[2-(4-methoxyphenyl)ethynyl]-5-methyl-N-[4-(trifluoromethyl)phenyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide (CHEBI:124946) is a pyrroloquinoline (CHEBI:50918)
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