CHEBI:105147 - 6-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[1-(2-methylbutan-2-yl)-5-tetrazolyl]methyl]quinoline

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 6-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[1-(2-methylbutan-2-yl)-5-tetrazolyl]methyl]quinoline
ChEBI ID CHEBI:105147
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C28H33N7O2
Net Charge 0
Average Mass 499.608
Monoisotopic Mass 499.26957
InChI InChI=1S/C28H33N7O2/c1-4-28(2,3)35-27(30-31-32-35)26(22-8-9-23-21(17-22)6-5-11-29-23)34-14-12-33(13-15-34)18-20-7-10-24-25(16-20)37-19-36-24/h5-11,16-17,26H,4,12-15,18-19H2,1-3H3
InChIKey SXGVPWBSDOQTOM-UHFFFAOYSA-N
SMILES CCC(C)(C)N1C(=NN=N1)C(C2=CC3=C(C=C2)N=CC=C3)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6
ChEBI Ontology
Outgoing 6-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[1-(2-methylbutan-2-yl)-5-tetrazolyl]methyl]quinoline (CHEBI:105147) is a quinolines (CHEBI:26513)
Manual Xref Database
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