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CHEBI:127543 - 4-[(3aR,4S,9bR)-4-(hydroxymethyl)-1-[oxo(3-pyridinyl)methyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-8-yl]benzonitrile

ChEBI IDCHEBI:127543
ChEBI Name4-[(3aR,4S,9bR)-4-(hydroxymethyl)-1-[oxo(3-pyridinyl)methyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-8-yl]benzonitrile
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DownloadsMolfile
FormulaC25H22N4O2
Net Charge0
Average Mass410.477
Monoisotopic Mass410.17428
SMILESN#Cc1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)c2cccnc2)[C@@H](CO)N3)cc1
InChIInChI=1S/C25H22N4O2/c26-13-16-3-5-17(6-4-16)18-7-8-22-21(12-18)24-20(23(15-30)28-22)9-11-29(24)25(31)19-2-1-10-27-14-19/h1-8,10,12,14,20,23-24,28,30H,9,11,15H2/t20-,23-,24-/m1/s1
InChIKeyBPVFUIBYYGTDID-AGILITTLSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[(3aR,4S,9bR)-4-(hydroxymethyl)-1-[oxo(3-pyridinyl)methyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-8-yl]benzonitrile (CHEBI:127543) is a quinolines (CHEBI:26513)
Manual XrefsDatabases
LSM-39101LINCS