CHEBI:123193 - 3-[[(1-tert-butyl-5-tetrazolyl)methyl-(thiophen-2-ylmethyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-[[(1-tert-butyl-5-tetrazolyl)methyl-(thiophen-2-ylmethyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one
ChEBI ID CHEBI:123193
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C23H28N6O2S
Net Charge 0
Average Mass 452.574
Monoisotopic Mass 452.19945
InChI InChI=1S/C23H28N6O2S/c1-5-31-18-8-9-20-16(12-18)11-17(22(30)24-20)13-28(14-19-7-6-10-32-19)15-21-25-26-27-29(21)23(2,3)4/h6-12H,5,13-15H2,1-4H3,(H,24,30)
InChIKey QURJSJMDOQGACP-UHFFFAOYSA-N
SMILES CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=CS3)CC4=NN=NN4C(C)(C)C
ChEBI Ontology
Outgoing 3-[[(1-tert-butyl-5-tetrazolyl)methyl-(thiophen-2-ylmethyl)amino]methyl]-6-ethoxy-1H-quinolin-2-one (CHEBI:123193) is a quinolines (CHEBI:26513)
Manual Xref Database
LSM-34635 LINCS
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