CHEBI:111231 - 3-[[[1-[1-(2-furanylmethyl)-5-tetrazolyl]-2-methylpropyl]-(2-oxolanylmethyl)amino]methyl]-8-methyl-1H-quinolin-2-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-[[[1-[1-(2-furanylmethyl)-5-tetrazolyl]-2-methylpropyl]-(2-oxolanylmethyl)amino]methyl]-8-methyl-1H-quinolin-2-one
ChEBI ID CHEBI:111231
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C26H32N6O3
Net Charge 0
Average Mass 476.572
Monoisotopic Mass 476.25359
InChI InChI=1S/C26H32N6O3/c1-17(2)24(25-28-29-30-32(25)16-22-10-6-12-35-22)31(15-21-9-5-11-34-21)14-20-13-19-8-4-7-18(3)23(19)27-26(20)33/h4,6-8,10,12-13,17,21,24H,5,9,11,14-16H2,1-3H3,(H,27,33)
InChIKey LRBIOTSODMGLHL-UHFFFAOYSA-N
SMILES CC1=CC=CC2=C1NC(=O)C(=C2)CN(CC3CCCO3)C(C4=NN=NN4CC5=CC=CO5)C(C)C
ChEBI Ontology
Outgoing 3-[[[1-[1-(2-furanylmethyl)-5-tetrazolyl]-2-methylpropyl]-(2-oxolanylmethyl)amino]methyl]-8-methyl-1H-quinolin-2-one (CHEBI:111231) is a quinolines (CHEBI:26513)
Manual Xref Database
LSM-22687 LINCS
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