1-[(3aS,4R,9bR)-4-(hydroxymethyl)-8-(3-methoxyphenyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-2-pyridin-4-ylethanone (CHEBI:130186)

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CHEBI:130186 - 1-[(3aS,4R,9bR)-4-(hydroxymethyl)-8-(3-methoxyphenyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-2-pyridin-4-ylethanone

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ChEBI ID	CHEBI:130186
ChEBI Name	1-[(3aS,4R,9bR)-4-(hydroxymethyl)-8-(3-methoxyphenyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-2-pyridin-4-ylethanone
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Formula	C27H29N3O3
Net Charge	0
Average Mass	443.547
Monoisotopic Mass	443.22089
SMILES	COc1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)Cc2ccncc2)[C@H](CO)N3C)c1
InChI	InChI=1S/C27H29N3O3/c1-29-24-7-6-20(19-4-3-5-21(15-19)33-2)16-23(24)27-22(25(29)17-31)10-13-30(27)26(32)14-18-8-11-28-12-9-18/h3-9,11-12,15-16,22,25,27,31H,10,13-14,17H2,1-2H3/t22-,25+,27-/m1/s1
InChIKey	BUQGVIZHJOSDOL-BUALBWRZSA-N

ChEBI Ontology

Outgoing Relation(s)
	1-[(3aS,4R,9bR)-4-(hydroxymethyl)-8-(3-methoxyphenyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-2-pyridin-4-ylethanone (CHEBI:130186) is a quinolines (CHEBI:26513)

Manual Xrefs	Databases
LSM-41735	LINCS