[(3aR,4S,9bR)-4-(hydroxymethyl)-8-[2-(4-methoxyphenyl)ethynyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-(3-fluorophenyl)methanone (CHEBI:124943)

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CHEBI:124943 - [(3aR,4S,9bR)-4-(hydroxymethyl)-8-[2-(4-methoxyphenyl)ethynyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-(3-fluorophenyl)methanone

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ChEBI ID	CHEBI:124943
ChEBI Name	[(3aR,4S,9bR)-4-(hydroxymethyl)-8-[2-(4-methoxyphenyl)ethynyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-(3-fluorophenyl)methanone
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Downloads	Molfile

Formula	C28H25FN2O3
Net Charge	0
Average Mass	456.517
Monoisotopic Mass	456.18492
SMILES	COc1ccc(C#Cc2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)c2cccc(F)c2)[C@@H](CO)N3)cc1
InChI	InChI=1S/C28H25FN2O3/c1-34-22-10-7-18(8-11-22)5-6-19-9-12-25-24(15-19)27-23(26(17-32)30-25)13-14-31(27)28(33)20-3-2-4-21(29)16-20/h2-4,7-12,15-16,23,26-27,30,32H,13-14,17H2,1H3/t23-,26-,27-/m1/s1
InChIKey	GERSETOIRBFUAZ-XSBVVTFOSA-N

ChEBI Ontology

Outgoing Relation(s)
	[(3aR,4S,9bR)-4-(hydroxymethyl)-8-[2-(4-methoxyphenyl)ethynyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-(3-fluorophenyl)methanone (CHEBI:124943) is a pyrroloquinoline (CHEBI:50918)

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LSM-36402	LINCS