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CHEBI:125132 - (1S,5R)-7-[4-(2-methylphenyl)phenyl]-3-(phenylmethyl)sulfonyl-3,6-diazabicyclo[3.1.1]heptane

ChEBI IDCHEBI:125132
ChEBI Name(1S,5R)-7-[4-(2-methylphenyl)phenyl]-3-(phenylmethyl)sulfonyl-3,6-diazabicyclo[3.1.1]heptane
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FormulaC25H26N2O2S
Net Charge0
Average Mass418.562
Monoisotopic Mass418.17150
SMILESCc1ccccc1-c1ccc(C2[C@@H]3CN(S(=O)(=O)Cc4ccccc4)C[C@H]2N3)cc1
InChIInChI=1S/C25H26N2O2S/c1-18-7-5-6-10-22(18)20-11-13-21(14-12-20)25-23-15-27(16-24(25)26-23)30(28,29)17-19-8-3-2-4-9-19/h2-14,23-26H,15-17H2,1H3/t23-,24+,25?
InChIKeyPSPMSICPJSRYNS-XMGLRAKGSA-N
ChEBI Ontology
Outgoing Relation(s)
(1S,5R)-7-[4-(2-methylphenyl)phenyl]-3-(phenylmethyl)sulfonyl-3,6-diazabicyclo[3.1.1]heptane (CHEBI:125132) is a piperidines (CHEBI:26151)
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LSM-36594LINCS