CHEBI:127958 - (1R,5S)-7-(4-pyridin-4-ylphenyl)-6-[[2-(trifluoromethyl)phenyl]methyl]-3,6-diazabicyclo[3.1.1]heptane

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (1R,5S)-7-(4-pyridin-4-ylphenyl)-6-[[2-(trifluoromethyl)phenyl]methyl]-3,6-diazabicyclo[3.1.1]heptane
ChEBI ID CHEBI:127958
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C24H22F3N3
Net Charge 0
Average Mass 409.448
Monoisotopic Mass 409.17658
InChI InChI=1S/C24H22F3N3/c25-24(26,27)20-4-2-1-3-19(20)15-30-21-13-29-14-22(30)23(21)18-7-5-16(6-8-18)17-9-11-28-12-10-17/h1-12,21-23,29H,13-15H2/t21-,22+,23?
InChIKey JNUFHWRNTAJLAP-AIZNXBIQSA-N
SMILES C1[C@@H]2C([C@@H](N2CC3=CC=CC=C3C(F)(F)F)CN1)C4=CC=C(C=C4)C5=CC=NC=C5
ChEBI Ontology
Outgoing (1R,5S)-7-(4-pyridin-4-ylphenyl)-6-[[2-(trifluoromethyl)phenyl]methyl]-3,6-diazabicyclo[3.1.1]heptane (CHEBI:127958) is a piperidines (CHEBI:26151)
Manual Xref Database
LSM-39514 LINCS
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