3-[(3aR,4R,9bS)-1-(2-cyclopropyl-1-oxoethyl)-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-8-yl]benzonitrile (CHEBI:129734)

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CHEBI:129734 - 3-[(3aR,4R,9bS)-1-(2-cyclopropyl-1-oxoethyl)-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-8-yl]benzonitrile

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ChEBI ID	CHEBI:129734
ChEBI Name	3-[(3aR,4R,9bS)-1-(2-cyclopropyl-1-oxoethyl)-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-8-yl]benzonitrile
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Formula	C25H27N3O2
Net Charge	0
Average Mass	401.510
Monoisotopic Mass	401.21033
SMILES	CN1c2ccc(-c3cccc(C#N)c3)cc2[C@@H]2[C@@H](CCN2C(=O)CC2CC2)[C@@H]1CO
InChI	InChI=1S/C25H27N3O2/c1-27-22-8-7-19(18-4-2-3-17(11-18)14-26)13-21(22)25-20(23(27)15-29)9-10-28(25)24(30)12-16-5-6-16/h2-4,7-8,11,13,16,20,23,25,29H,5-6,9-10,12,15H2,1H3/t20-,23-,25-/m0/s1
InChIKey	FSPATWAOIFILJZ-OPHFCASCSA-N

ChEBI Ontology

Outgoing Relation(s)
	3-[(3aR,4R,9bS)-1-(2-cyclopropyl-1-oxoethyl)-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-8-yl]benzonitrile (CHEBI:129734) is a quinolines (CHEBI:26513)

Manual Xrefs	Databases
LSM-41285	LINCS