1-[(3aR,4R,9bS)-8-[2-(3-fluorophenyl)ethynyl]-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-1-propanone (CHEBI:128523)

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CHEBI:128523 - 1-[(3aR,4R,9bS)-8-[2-(3-fluorophenyl)ethynyl]-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-1-propanone

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ChEBI ID	CHEBI:128523
ChEBI Name	1-[(3aR,4R,9bS)-8-[2-(3-fluorophenyl)ethynyl]-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-1-propanone
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Formula	C24H25FN2O2
Net Charge	0
Average Mass	392.474
Monoisotopic Mass	392.19001
SMILES	CCC(=O)N1CC[C@@H]2[C@H]1c1cc(C#Cc3cccc(F)c3)ccc1N(C)[C@H]2CO
InChI	InChI=1S/C24H25FN2O2/c1-3-23(29)27-12-11-19-22(15-28)26(2)21-10-9-17(14-20(21)24(19)27)8-7-16-5-4-6-18(25)13-16/h4-6,9-10,13-14,19,22,24,28H,3,11-12,15H2,1-2H3/t19-,22-,24-/m0/s1
InChIKey	RNDVKKCVXISTNQ-APTRMMRNSA-N

ChEBI Ontology

Outgoing Relation(s)
	1-[(3aR,4R,9bS)-8-[2-(3-fluorophenyl)ethynyl]-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-1-propanone (CHEBI:128523) is a pyrroloquinoline (CHEBI:50918)

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LSM-40077	LINCS