CHEBI:125061 - (1S,5R)-3-[(3-fluorophenyl)methyl]-7-[4-(5-pyrimidinyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane

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ChEBI Name (1S,5R)-3-[(3-fluorophenyl)methyl]-7-[4-(5-pyrimidinyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane
ChEBI ID CHEBI:125061
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C22H21FN4
Net Charge 0
Average Mass 360.428
Monoisotopic Mass 360.17502
InChI InChI=1S/C22H21FN4/c23-19-3-1-2-15(8-19)11-27-12-20-22(21(13-27)26-20)17-6-4-16(5-7-17)18-9-24-14-25-10-18/h1-10,14,20-22,26H,11-13H2/t20-,21+,22?
InChIKey QVVADCIQRXNSKX-CBQGHPETSA-N
SMILES C1[C@@H]2C([C@@H](N2)CN1CC3=CC(=CC=C3)F)C4=CC=C(C=C4)C5=CN=CN=C5
ChEBI Ontology
Outgoing (1S,5R)-3-[(3-fluorophenyl)methyl]-7-[4-(5-pyrimidinyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane (CHEBI:125061) is a piperidines (CHEBI:26151)
Manual Xref Database
LSM-36523 LINCS
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