CHEBI:128486 - (1R,5S)-6-(2-pyridinylmethyl)-7-[4-(3-pyridinyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (1R,5S)-6-(2-pyridinylmethyl)-7-[4-(3-pyridinyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane
ChEBI ID CHEBI:128486
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C22H22N4
Net Charge 0
Average Mass 342.438
Monoisotopic Mass 342.18445
InChI InChI=1S/C22H22N4/c1-2-11-25-19(5-1)15-26-20-13-24-14-21(26)22(20)17-8-6-16(7-9-17)18-4-3-10-23-12-18/h1-12,20-22,24H,13-15H2/t20-,21+,22?
InChIKey IOOKZCUZIZVBKV-CBQGHPETSA-N
SMILES C1[C@@H]2C([C@@H](N2CC3=CC=CC=N3)CN1)C4=CC=C(C=C4)C5=CN=CC=C5
ChEBI Ontology
Outgoing (1R,5S)-6-(2-pyridinylmethyl)-7-[4-(3-pyridinyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane (CHEBI:128486) is a piperidines (CHEBI:26151)
Manual Xref Database
LSM-40040 LINCS
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