CHEBI:125101 - [(1R,5S)-7-[4-(2-methylphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-(2-pyrazinyl)methanone

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ChEBI Name [(1R,5S)-7-[4-(2-methylphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-(2-pyrazinyl)methanone
ChEBI ID CHEBI:125101
Stars This entity has been manually annotated by a third party.
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Formula C23H22N4O
Net Charge 0
Average Mass 370.448
Monoisotopic Mass 370.17936
InChI InChI=1S/C23H22N4O/c1-15-4-2-3-5-18(15)16-6-8-17(9-7-16)22-20-13-27(14-21(22)26-20)23(28)19-12-24-10-11-25-19/h2-12,20-22,26H,13-14H2,1H3/t20-,21+,22?
InChIKey KIIKJNWTIJJZQY-CBQGHPETSA-N
SMILES CC1=CC=CC=C1C2=CC=C(C=C2)C3[C@H]4CN(C[C@@H]3N4)C(=O)C5=NC=CN=C5
ChEBI Ontology
Outgoing [(1R,5S)-7-[4-(2-methylphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-(2-pyrazinyl)methanone (CHEBI:125101) is a piperidines (CHEBI:26151)
Manual Xref Database
LSM-36563 LINCS
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