CHEBI:125018 - (1S,5R)-3-[(3,5-dimethoxyphenyl)methyl]-7-[4-(5-pyrimidinyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane

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ChEBI Name (1S,5R)-3-[(3,5-dimethoxyphenyl)methyl]-7-[4-(5-pyrimidinyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane
ChEBI ID CHEBI:125018
Stars This entity has been manually annotated by a third party.
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Formula C24H26N4O2
Net Charge 0
Average Mass 402.490
Monoisotopic Mass 402.20558
InChI InChI=1S/C24H26N4O2/c1-29-20-7-16(8-21(9-20)30-2)12-28-13-22-24(23(14-28)27-22)18-5-3-17(4-6-18)19-10-25-15-26-11-19/h3-11,15,22-24,27H,12-14H2,1-2H3/t22-,23+,24?
InChIKey OXQDGXHZPCPXBO-VSGJHWFKSA-N
SMILES COC1=CC(=CC(=C1)CN2C[C@@H]3C([C@H](C2)N3)C4=CC=C(C=C4)C5=CN=CN=C5)OC
ChEBI Ontology
Outgoing (1S,5R)-3-[(3,5-dimethoxyphenyl)methyl]-7-[4-(5-pyrimidinyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane (CHEBI:125018) is a piperidines (CHEBI:26151)
Manual Xref Database
LSM-36480 LINCS
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