CHEBI:108050 - 3-[[cyclopentyl-[[1-[(4-methoxyphenyl)methyl]-5-tetrazolyl]methyl]amino]methyl]-7-methyl-1H-quinolin-2-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-[[cyclopentyl-[[1-[(4-methoxyphenyl)methyl]-5-tetrazolyl]methyl]amino]methyl]-7-methyl-1H-quinolin-2-one
ChEBI ID CHEBI:108050
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C26H30N6O2
Net Charge 0
Average Mass 458.556
Monoisotopic Mass 458.24302
InChI InChI=1S/C26H30N6O2/c1-18-7-10-20-14-21(26(33)27-24(20)13-18)16-31(22-5-3-4-6-22)17-25-28-29-30-32(25)15-19-8-11-23(34-2)12-9-19/h7-14,22H,3-6,15-17H2,1-2H3,(H,27,33)
InChIKey CLESYUIRTDJQBD-UHFFFAOYSA-N
SMILES CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CC3=NN=NN3CC4=CC=C(C=C4)OC)C5CCCC5
ChEBI Ontology
Outgoing 3-[[cyclopentyl-[[1-[(4-methoxyphenyl)methyl]-5-tetrazolyl]methyl]amino]methyl]-7-methyl-1H-quinolin-2-one (CHEBI:108050) is a quinolines (CHEBI:26513)
Manual Xref Database
LSM-19427 LINCS
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