CHEBI:126968 - (1R,5S)-7-[4-(3-fluorophenyl)phenyl]-6-(5-pyrimidinylmethyl)-3,6-diazabicyclo[3.1.1]heptane

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (1R,5S)-7-[4-(3-fluorophenyl)phenyl]-6-(5-pyrimidinylmethyl)-3,6-diazabicyclo[3.1.1]heptane
ChEBI ID CHEBI:126968
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C22H21FN4
Net Charge 0
Average Mass 360.428
Monoisotopic Mass 360.17502
InChI InChI=1S/C22H21FN4/c23-19-3-1-2-18(8-19)16-4-6-17(7-5-16)22-20-11-24-12-21(22)27(20)13-15-9-25-14-26-10-15/h1-10,14,20-22,24H,11-13H2/t20-,21+,22?
InChIKey CGRVLYNUZIZELK-CBQGHPETSA-N
SMILES C1[C@@H]2C([C@@H](N2CC3=CN=CN=C3)CN1)C4=CC=C(C=C4)C5=CC(=CC=C5)F
ChEBI Ontology
Outgoing (1R,5S)-7-[4-(3-fluorophenyl)phenyl]-6-(5-pyrimidinylmethyl)-3,6-diazabicyclo[3.1.1]heptane (CHEBI:126968) is a piperidines (CHEBI:26151)
Manual Xref Database
LSM-38531 LINCS
View more database links